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• 2,3-Dichloro Aniline
IUPAC Name: 2,3-dichloroaniline | CAS Registry Number: 608-27-5
Synonyms: 2,3-DICHLOROANILINE, Dichloroanilines, Aniline, 2,3-dichloro-, Benzenamine, 2,3-dichloro-, 2,3-Dichlorobenzenamine, 2,3-Dichloranilin, DICHLOROANILINE, Ar,ar-dichlorobenzenamine, Benzenamine, ar,ar-dichloro-, D55407_ALDRICH, HSDB 5433, 36701_RIEDEL, 35160_FLUKA, CHEBI:46636, EINECS 210-157-9, NSC 60683, Aniline, 2,3-dichloro- (7CI,8CI), NSC60683, UN1590, ZINC00388504

Molecular Formula: C6H5Cl2NMolecular Weight: 162.016600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BRPSAOUFIJSKOT-UHFFFAOYSA-N

• 2,6-DichloroPurine
IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula: C5H2Cl2N4Molecular Weight: 189.002180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 2,6-Diisopropylaniline
IUPAC Name: 2,6-di(propan-2-yl)aniline | CAS Registry Number: 24544-04-5
Synonyms: 2,6-Diisopropyl aniline, 2,6-Dilsopropylaniline, Aniline, 2,6-diisopropyl-, 2,6-DIISOPROPYLANILINE, 2,6-Diisopropylphenylamine, 2,6-bis(1-methylethyl)aniline, Benzenamine, 2,6-bis(1-methylethyl)-, 157716_ALDRICH, 374733_ALDRICH, 38345_FLUKA, EINECS 246-305-4, BRN 2208763, ZINC02014547, LS-19720, ST5406698, 3-12-00-02764 (Beilstein Handbook Reference), InChI=1/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H

Molecular Formula: C12H19NMolecular Weight: 177.285960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WKBALTUBRZPIPZ-UHFFFAOYSA-N

• 1,2,3-Benzotriazole
IUPAC Name: 2H-benzotriazole | CAS Registry Number: 95-14-7
Synonyms: Benzotriazole, 1H-Benzotriazole, Azimidobenzene, Aziminobenzene, Benzisotriazole, Benztriazole, Benzene azimide, 2,3-Diazaindole, Purine analog, Cobratec #99, Cobratec 99, 2H-Benzotriazole, 1,2,3-Triazaindene, 1,2-Aminoazophenylene, 1,2,-Aminozophenylene, 1H-1,2,3-Benzotriazole, Pseudoazimidobenzene, Benzotriazole (VAN), 1,2,3-BENZOTRIAZOLE, cobr atec #99

Molecular Formula: C6H5N3Molecular Weight: 119.124000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N

• 2,4-Dihydroxy Benzoic Acid
IUPAC Name: 2,4-dihydroxybenzoic acid | CAS Registry Number: 89-86-1
Synonyms: beta-Resorcylic acid, 2,4-dihydroxybenzoic acid, 4-Carboxyresorcinol, p-Hydroxysalicylic acid, .beta.-Resorcylic acid, 4-Hydroxysalicylic acid, beta-Resorcinolic acid, Benzoic acid, 2,4-dihydroxy-, 2,4-Dhba, RESORCYLIC ACID, BETA, .beta.-Resorcinolic acid, Oprea1_259729, MLS001055408, D109401_ALDRICH, W379808_ALDRICH, 37530_FLUKA, EINECS 201-946-9, CID1491, NSC4740, NSC 13564

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N

• 2-Octanol
IUPAC Name: octan-2-ol | CAS Registry Number: 123-96-6
Synonyms: Capryl alcohol, 2-OCTANOL, 2-Hydroxyoctane, 2-Octyl alcohol, Hexylmethylcarbinol, Methylhexylcarbinol, s-Octyl alcohol, sec-Caprylic alcohol, n-Octan-2-ol, beta-Octyl alcohol, Hexyl methyl carbinol, 1-Methyl-1-heptanol, sec-Octanol, 1-Methylheptyl alcohol, sec-OCTYL ALCOHOL, Methyl hexyl carbinol, Octan-2-ol, .beta.-Octyl alcohol, Ethylpentylcarbinol, 2-Hydroxy-n-octane

Molecular Formula: C8H18OMolecular Weight: 130.227920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SJWFXCIHNDVPSH-UHFFFAOYSA-N

• 2-Hydroxy-5-Nitrobenzoic Acid
IUPAC Name: 2-hydroxy-5-nitrobenzoic acid | CAS Registry Number: 96-97-9
Synonyms: Anilotic acid, 5-Nitrosalicylic acid, 2-Hydroxy-5-nitrobenzoic acid, Salicylic acid, 5-nitro-, 5-Nitro-2-hydroxybenzoic acid, Benzoic acid, 2-hydroxy-5-nitro-, 5-NITROSALICYCLIC ACID, 247871_ALDRICH, NSC183, 73820_FLUKA, CID7318, NSC 183, Salicylic acid, 5-nitro- (8CI), EINECS 202-548-8, SBB006535, FR-0467, AI3-08840, InChI=1/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11

Molecular Formula: C7H5NO5Molecular Weight: 183.118300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PPDRLQLKHRZIJC-UHFFFAOYSA-N

• 2,4-Dichloro-1-nitrobenzene
IUPAC Name: 2,4-dichloro-1-nitrobenzene | CAS Registry Number: 611-06-3
Synonyms: 2,4-DICHLORONITROBENZENE, 1,3-Dichloro-4-nitrobenzene, Benzene, 2,4-dichloro-1-nitro-, CCRIS 3095, D68401_ALDRICH, ghl.PD_Mitscher_leg0.937, asym.-Nitro-m-dichlorobenzene, HSDB 4267, 36030_FLUKA, EINECS 210-248-3, NSC 43196, NSC43196, BRN 1451655, ZINC01675935, LS-1460, NCGC00091267-01, TL80074006, 4-05-00-00726 (Beilstein Handbook Reference), InChI=1/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QUIMTLZDMCNYGY-UHFFFAOYSA-N

• 1,2-Dichlorobenzene
IUPAC Name: 1,2-dichlorobenzene | CAS Registry Number: 95-50-1
Synonyms: o-Dichlorobenzene, o-Dichlorbenzol, o-Dichlorobenzol, Chloroben, Termitkil, Cloroben, Dizene, 2-Dichlorobenzene, Dichlorobenzene, Dowtherm E, Rotamott, Dilantin DB, Orthodichlorobenzol, o-Dichlorbenzene, Benzene, o-dichloro-, dichloricide, 1,2-DICHLOROBENZENE, Dichlorobenzol, Chloroden, Benzene, 1,2-dichloro-

Molecular Formula: C6H4Cl2Molecular Weight: 147.001960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RFFLAFLAYFXFSW-UHFFFAOYSA-N

• 1,3,5-Trichlorobenzene (TCB)
IUPAC Name: 1,3,5-trichlorobenzene | CAS Registry Number: 108-70-3
Synonyms: s-Trichlorobenzene, sym-Trichlorobenzene, 1,3,5-TRICHLOROBENZENE, Benzene, 1,3,5-trichloro-, 1,3,5-Trichlorbenzol, CCRIS 5946, HSDB 132, 1,3,5-TRICHLORO-BENZENE, T54607_ALDRICH, 36555_RIEDEL, 442235_SUPELCO, NSC 4389, CHEBI:49916, EINECS 203-608-6, NSC4389, LS-468, AI3-22031, DB03836, NCGC00091181-01, TL806428

Molecular Formula: C6H3Cl3Molecular Weight: 181.447020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XKEFYDZQGKAQCN-UHFFFAOYSA-N

• 1,4-Chinone
IUPAC Name: cyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 106-51-4
Synonyms: p-benzoquinone, Quinone, Benzoquinone, Chinone, p-Quinone, para-Quinone, Steara pbq, Cyclohexadienedione, 1,4-BENZOQUINONE, 1,4-Benzoquine, 1,4-Dioxybenzene, para-Benzoquinone, Benzo-1,4-quinone, Chinon, Benzo-chinon, 1,4-Cyclohexadienedione, 2,5-Cyclohexadiene-1,4-dione, p-Chinon, Semiquinone anion, p-Chinon [German]

Molecular Formula: C6H4O2Molecular Weight: 108.094760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N

• 2,5-Dichloroaniline
IUPAC Name: 2,5-dichloroaniline | CAS Registry Number: 95-82-9
Synonyms: 2,5-DICHLOROANILINE, Scarlet 2g base, Azobase DCA, Scarlet Base GG, Fast Scarlet 2G, Scarlet Base NGG, Diazol Scarlet 2Zh, Fast Red SGG Base, Hindamine Scarlet GG, Stabamine Scarlet GG, Scarlet Base Ciba I, Scarlet Salt Ciba I, Scarlet salt ngg, 2,5-Dichloranilin, Fast scarlet 2g base, Scarlet 2g salt, Aniline, 2,5-dichloro-, Fast Scarlet DS Base, Fast Scarlet GG Base, Lake Scarlet GG Base

Molecular Formula: C6H5Cl2NMolecular Weight: 162.016600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AVYGCQXNNJPXSS-UHFFFAOYSA-N

• 2,6-Diaminopyridine
IUPAC Name: pyridine-2,6-diamine | CAS Registry Number: 141-86-6
Synonyms: 2,6-pyridinediamine, pyridine, 2,6-diamino-, pyridine-2,6-diamine, DAP (amine), pyridine-2,6-diyldiamine, WLN: T6NJ BZ FZ, CCRIS 6682, D24404_ALDRICH, NSC 1921, 33321_FLUKA, EINECS 205-507-2, CID8861, NSC1921, BRN 0108513, SBB004340, AI3-18054, D253, TL806197, LS-131134, 5-22-11-00255 (Beilstein Handbook Reference)

Molecular Formula: C5H7N3Molecular Weight: 109.129180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VHNQIURBCCNWDN-UHFFFAOYSA-N

• 2-Bromopyridine
IUPAC Name: 2-bromopyridine | CAS Registry Number: 109-04-6
Synonyms: 2-BROMOPYRIDINE, o-Bromopyridine, Pyridine, 2-bromo-, 2-Pyridyl bromide, beta-Bromopyridine, alpha-Bromopyridine, .alpha.-Bromopyridine, .beta.-Bromopyridine, PYRIDINE,2-BROMO, WLN: T6NJ BE, B80100_ALDRICH, NSC 8031, CHEBI:51574, EINECS 203-641-6, NSC8031, AIDS020378, AIDS-020378, BRN 0105789, SBB003999, ZINC00158586

Molecular Formula: C5H4BrNMolecular Weight: 157.995960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N

• 4,4-Diamino Stilbene-2,2-Disulphonic Acid
IUPAC Name: 5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid | CAS Registry Number: 81-11-8
Synonyms: Amsonsaeure, Flavonic acid, Amsonic acid, Tinopal BHS, DASD, Diaminostilbenedisulfonic acid, CCRIS 4778, HSDB 4239, NSC 163, NCI-C60162, NSC163, EINECS 201-325-2, 2,2'-Disulfo-4,4'-stilbenediamine, AIDS158065, AIDS-158065, BRN 0629516, NSC659761 (SODIUM SALT), p,p'-Diaminostilbene-o,o'-disulfonic acid, 4,4'-Diaminostilbene-2,2'-disulphonic acid, 4-4'-Diamino-2,2'-stilbenedisulphonic acid

Molecular Formula: C14H14N2O6S2Molecular Weight: 370.400760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: REJHVSOVQBJEBF-OWOJBTEDSA-N

• (R,R)-1,2-Diaminocyclohexane
IUPAC Name: (1R,2R)-cyclohexane-1,2-diamine | CAS Registry Number: 20439-47-8
Synonyms: (1R,2R)-(-)-1,2-Diaminocyclohexane, (1R,2R)-cyclohexane-1,2-diamine, trans-1,2-Diaminocyclohexane, 1121-22-8, r-dach, (1r,2r)-1,2-diaminocyclohexane, (1R)-trans-1,2-Cyclohexanediamine, (1r,2r)-diaminocyclohexane, rr-diaminocyclohexane, (1R,2R)-(-)-1,2-Cyclohexanediamine, trans-1,2-Cyclohexanediamine, (1R)-(-)-trans-1,2-Diaminocyclohexane, trans-cyclohexane-1,2-diamine, 1R,2R-DIAMINOCYCLOHEXANE, (1R,2R)-1,2-Cyclohexanediamine, ((1R,2R)-2-Aminocyclohexyl)amine, SBB007639, (+/-)-trans-1,2-Diaminocyclohexane, (R,R)-(-)-1,2-Diaminocyclohexane, DNH

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SSJXIUAHEKJCMH-PHDIDXHHSA-N

• 1,1-Dichlorethane
IUPAC Name: 1,1-dichloroethane | CAS Registry Number: 75-34-3
Synonyms: Ethylidene chloride, 1,1-DICHLOROETHANE, Ethane, 1,1-dichloro-, Ethylidene dichloride, 1,2-dichloroethane, Dichloroethane, 1,1-, 1,1-Ethylidene dichloride, alpha,alpha-Dichloroethane, Aethylidenchlorid [German], Chlorinated hydrochloric ether, RCRA waste no. U076, RCRA waste number U076, HSDB 64, 1,1-Dichloorethaan [Dutch], 1,1-Dichloraethan [German], 1,1-Dicloroetano [Italian], CCRIS 224, Chlorure d'ethylidene [French], Cloruro di etilidene [Italian], 48512_SUPELCO

Molecular Formula: C2H4Cl2Molecular Weight: 98.959160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SCYULBFZEHDVBN-UHFFFAOYSA-N

• 2,4-Dichloropyrimidine
IUPAC Name: 2,4-dichloropyrimidine | CAS Registry Number: 3934-20-1
Synonyms: Pyrimidine, 2,4-dichloro-, nchembio826-comp5, 2,6-Dichloropyrimidine, 143847_ALDRICH, AIDS167215, AIDS-167215, ALBB-006256, NSC20212, NSC37531, NSC49119, EINECS 223-508-6, NSC 20212, NSC 37531, NSC 49119, ZINC01571020, D2489G5, AI3-26561, TL8002842, T5421466, InChI=1/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BTTNYQZNBZNDOR-UHFFFAOYSA-N

• 2-Hydroxy-4-Octyloxybenzophenone
IUPAC Name: (2-hydroxy-4-octoxyphenyl)-phenylmethanone | CAS Registry Number: 1843-05-6
Synonyms: Octabenzone, Benzophenone-12, Benzon OO, Seikalizer E, Rhodialux P, Zislizer E, Benzophenone 12, Cyasorb UV 531, Chimassorb 81, UV Absorber HOB, Advastab 46, Sumisorb 130, Spectra-Sorb UV 531, Anti-UV P, Biosorb 130, Carstab 700, Viosorb 130, Sanduvor 3035, Aduvex 248, Uvinul 408

Molecular Formula: C21H26O3Molecular Weight: 326.429340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QUAMTGJKVDWJEQ-UHFFFAOYSA-N

• 2,6-Di tert Butyl Phenol
IUPAC Name: 2,6-ditert-butylphenol | CAS Registry Number: 128-39-2
Synonyms: Dibutylphenol, Di-tert-butylphenol, Ethanox 701, 2,6-DI-TERT-BUTYLPHENOL, Isonox 103, Ethyl 701, 2,6 Di-tert-butylphenol, 2,6-Di-t-butylphenol, Ethyl AN 701, Phenol, 2,6-di-tert-butyl-, Hitec 4701, 2,6-Bis(tert-butyl)phenol, Phenol, 2,6-bis(1,1-dimethylethyl)-, CCRIS 5828, D48400_ALDRICH, HSDB 5616, 2,6-Bis(1,1-dimethylethyl)phenol, EINECS 204-884-0, AN 701, NSC 49175

Molecular Formula: C14H22OMolecular Weight: 206.323880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DKCPKDPYUFEZCP-UHFFFAOYSA-N

• 2,4-Dipentylphenol
IUPAC Name: 2,4-dipentylphenol | CAS Registry Number: 138-00-1
Synonyms: Diamylphenol, Phenol, diamyl-, Phenol, dipentyl-, Phenol, 2,4-dipentyl-, 2,4-DIPENTYLPHENOL, CID34303, AI3-00426, LS-104577, 28652-04-2

Molecular Formula: C16H26OMolecular Weight: 234.377040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GKPNMUZVXNHWPX-UHFFFAOYSA-N

• 1,6-Hexanediol
IUPAC Name: hexane-1,6-diol | CAS Registry Number: 629-11-8
Synonyms: Hexamethylene glycol, Hexamethylenediol, 1,6-HEXANEDIOL, Hexane-1,6-diol, 1,6-Dihydroxyhexane, .omega.-Hexanediol, alpha,omega-Hexanediol, 1,6-Hexanediol solution, .alpha.,.omega.-Hexanediol, WLN: Q6Q, CCRIS 8982, H11807_ALDRICH, HSDB 6488, NSC 508, 240117_ALDRICH, NSC508, 88571_FLUKA, EINECS 211-074-0, BRN 1633461, ZINC01555566

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N

• 1,4-Butynediol
IUPAC Name: but-2-yne-1,4-diol | CAS Registry Number: 110-65-6
Synonyms: 2-Butyne-1,4-diol, Butynediol, 2-Butynediol, Agrisynth B3D, But-2-yne-1,4-diol, Bis(hydroxymethyl)acetylene, 1,4-Dihydroxy-2-butyne, 1,4-BUTYNEDIOL, 1,4-Dimethoxyacetylene, 1,4-Butynediol (VAN), Butynediol-1,4 [French], 1,4-Butinodiol [Spanish], WLN: Q2UU2Q, 2-Butin-1,4-diol [Czech], 2-BUTYNE-14-DIOL, HSDB 2004, B103209_ALDRICH, NSC 834, NSC834, 19190_FLUKA

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DLDJFQGPPSQZKI-UHFFFAOYSA-N

• 1-Bromo-3-Methyl-2-Butene
IUPAC Name: 1-bromo-3-methylbut-2-ene | CAS Registry Number: 870-63-3
Synonyms: Prenyl bromide, Dimethylallyl bromide, 2-Butene, 1-bromo-3-methyl-, 3,3-Dimethylallyl bromide, 1-Bromo-3-methyl-2-butene, 1-Bromo-3-methylbut-2-ene, 249904_ALDRICH, 274372_ALDRICH, .gamma.,.gamma.-Dimethylallyl bromide, NChemBio.2007.20-comp24, CID70092, EINECS 212-799-5

Molecular Formula: C5H9BrMolecular Weight: 149.028960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LOYZVRIHVZEDMW-UHFFFAOYSA-N

• 2-Bromopropane
IUPAC Name: 2-bromopropane | CAS Registry Number: 75-26-3
Synonyms: Propane, 2-bromo-, Isopropylbromide, ISOPROPYL BROMIDE, 2-BROMO-PROPANE, CCRIS 7919, HSDB 623, B78114_ALDRICH, 68551_FLUKA, EINECS 200-855-1, UN2344, AI3-18127, LS-1659, NCGC00091451-01, TL8005157, 2-Bromopropane [UN2344] [Flammable liquid], 2-Bromopropane [UN2344] [Flammable liquid], InChI=1/C3H7Br/c1-3(2)4/h3H,1-2H

Molecular Formula: C3H7BrMolecular Weight: 122.991680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NAMYKGVDVNBCFQ-UHFFFAOYSA-N

• 2-Amino-2-methyl-1-propanol
IUPAC Name: 2-amino-2-methylpropan-1-ol | CAS Registry Number: 124-68-5
Synonyms: AMP Regular, 2-Aminoisobutanol, Aminomethylpropanol, Isobutanolamine, Isobutanol-2-amine, Corrguard 75, AMP (thinner), Aminomethyl propanol, beta-Aminoisobutanol, 2-Aminodimethylethanol, .beta.-Aminoisobutanol, Hydroxy-tert-butylamine, Caswell No. 037, 1-Propanol, 2-amino-2-methyl-, 2-Methyl-2-aminopropanol, 2-Amino-2-methylpropan-1-ol, Amp-95, 2-Methyl-2-aminopropanol-1, 2-Amino-2,2-dimethylethanol, 2-Hydroxymethyl-2-propylamine

Molecular Formula: C4H11NOMolecular Weight: 89.136240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CBTVGIZVANVGBH-UHFFFAOYSA-N

• 1,3-Diaminopropane
IUPAC Name: propane-1,3-diamine | CAS Registry Number: 109-76-2
Synonyms: 1,3-Propanediamine, 1,3-diaminopropane, Trimethylenediamine, Propane-1,3-diamine, Propandiamine, TMEDA, 1,3-Propylenediamine, alpha,omega-Propanediamine, Spectrum_001150, SpecPlus_000418, Spectrum4_001903, Spectrum5_000586, WLN: Z3Z, CCRIS 4054, D23602_ALDRICH, KBioGR_002492, KBioSS_001630, DivK1c_006514, CID428, NSC 8154

Molecular Formula: C3H10N2Molecular Weight: 74.124900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N

• 2,4-Difluorobenzonitrile
IUPAC Name: 2,4-difluorobenzonitrile | CAS Registry Number: 103496-86-2
Synonyms: 3939-09-1, 2,4-Difluorobenzenecarbonitrile, ZINC00159425, PubChem1563, ACMC-1BOHP, AC1L2TAA, AC1Q4LOF, SureCN57346, 2,4-difluoro-benzonitrile, KSC493M5D, Benzonitrile, 2,4-difluoro-, 2,4-Difluorobenzonitrile 98%, 264326_ALDRICH, Jsp000018, CTK3J3651, LJFDXXUKKMEQKE-UHFFFAOYSA-, MolPort-000-154-288, BB_SC-3006, ACT06928, JRD-0080

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LJFDXXUKKMEQKE-UHFFFAOYSA-N

• 1,1,1-Trichloroethane
IUPAC Name: 1,1,1-trichloroethane | CAS Registry Number: 71-55-6
Synonyms: Methylchloroform, Chlorothene, Inhibisol, Chlorothene NU, Chlorothene VG, Chlorotene, Chlorten, Aerothene TT, Cleanite, Tafclean, Baltana, Methyl chloroform, alpha-T, Chlorothene SM, alpha-Trichloroethane, Methyltrichloromethane, 1,1,1-TRICHLOROETHANE, Dowclene LS, Genklene LB, TRICHLOROETHANE

Molecular Formula: C2H3Cl3Molecular Weight: 133.404220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UOCLXMDMGBRAIB-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Pentanone
IUPAC Name: 2,4-dimethylpentan-3-one | CAS Registry Number: 565-80-0
Synonyms: Diisopropyl ketone, Isobutyrone, Isopropyl ketone, 3-Pentanone, 2,4-dimethyl-, 2,4-Dimethylpentan-3-one, DIISOPROPYLKETONE, 2,4-DIMETHYL-3-PENTANONE, 136867_ALDRICH, EINECS 209-294-7, NSC 14662, 3-PENTANONE,2,4-DIMETHYL, NSC14662, PM 2763, ZINC01653137, LS-101945, InChI=1/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H

Molecular Formula: C7H14OMolecular Weight: 114.185460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HXVNBWAKAOHACI-UHFFFAOYSA-N

• 2,5-Dimethylphenol
IUPAC Name: 2,5-dimethylphenol | CAS Registry Number: 95-87-4
Synonyms: p-Xylenol, 2,5-Xylenol, 6-Methyl-m-cresol, Phenol, 2,5-dimethyl-, 2,5-DIMETHYLPHENOL, 3,6-Dimethylphenol, 3,6-Xylenol, 2,5-Dimethyl phenol, 1,2,5-Xylenol, 2-Hydroxy-p-xylene, 2,5-Dmp, 1-Hydroxy-2,5-dimethylbenzene, CCRIS 722, FEMA No. 3595, 1,4-Dimethyl-2-hydroxybenzene, HSDB 5296, D174602_ALDRICH, W359505_ALDRICH, WLN: QR B1 E1, 36714_RIEDEL

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NKTOLZVEWDHZMU-UHFFFAOYSA-N

• 2-Mercaptoacetic Acid
IUPAC Name: 2-sulfanylacetic acid | CAS Registry Number: 68-11-1
Synonyms: mercaptoacetic acid, thioglycolic acid, thioglycolate, Thiovanic acid, Mercaptoessigsaeure, Acetic acid, mercapto-, 2-Thioglycolic acid, Thioglykolsaeure, 2-Mercaptoacetate, 2-Mercaptoacetic acid, Thioglycollic acid, Sulfanylacetic acid, Glycolic acid, thio-, Mercaptoethanoic acid, Merkaptoessigsaeure, Acide thioglycolique, sJPhLPDIKTp@, Glycolic acid, 2-thio-, .alpha.-Mercaptoacetic acid, USAF CB-35

Molecular Formula: C2H4O2SMolecular Weight: 92.116960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CWERGRDVMFNCDR-UHFFFAOYSA-N

• 4-Aminophenol
IUPAC Name: 4-aminophenol | CAS Registry Number: 123-30-8
Synonyms: 4-aminophenol, p-aminophenol, 4-hydroxyaniline, p-hydroxyaniline, Certinal, Paranol, Citol, Azol, 4-aminobenzenol, Phenol, 4-amino-, Activol, Rodinal, Phenol, p-amino-, Fouramine P, Benzofur P, Fourrine P Base, Pelagol P Base, Tertral P Base, Ursol P, Furro P Base

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PLIKAWJENQZMHA-UHFFFAOYSA-N

• 2,6-Dichloro Pyrazine
IUPAC Name: 2,6-dichloropyrazine | CAS Registry Number: 4774-14-5
Synonyms: 2,6-Dichloropyrazine, Pyrazine, 2,6-dichloro-, 132497_ALDRICH, ZINC02141061, CID78504, EINECS 225-316-8, D2303G1, AI3-61780, ST5412065, TL8003239, InChI=1/C4H2Cl2N2/c5-3-1-7-2-4(6)8-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LSEAAPGIZCDEEH-UHFFFAOYSA-N

• 2,6-Dimercapto Purine
IUPAC Name: 3,7-dihydropurine-2,6-dithione | CAS Registry Number: 5437-25-2
Synonyms: Dithioxanthine, Purinedithiol, Dithiopurine, 2,6-Dithiopurine, Purine analog, Purine-2,6-dithiol, 2,6-Dimercaptopurine, 2,6-Dithioxanthine, 2,6-Purinedithiol, 2,6-Dimercapto-7H-purine, Ambap3309, Xanthine, 2,6-dithio-, Xanthine, dithio- (7CI,8CI), 852627_ALDRICH, STOCK1S-27790, EINECS 226-608-8, NSC 15989, NSC685799, AIDS045537, AIDS099048

Molecular Formula: C5H4N4S2Molecular Weight: 184.242060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: VQPMXSMUUILNFZ-UHFFFAOYSA-N

• 2-Furaldehyde
IUPAC Name: furan-2-carbaldehyde | CAS Registry Number: 98-01-1
Synonyms: FURFURAL, 2-Furancarboxaldehyde, Furaldehyde, Fural, Furancarbonal, Furfuraldehyde, 2-Furanaldehyde, 2-Furancarbonal, Furfurole, Furfurol, Furale, Furole, Furol, Furfurylaldehyde, 2-Furfural, 2-Furylaldehyde, Quakeral, 2-Formylfuran, Artificial ant oil, Fufural

Molecular Formula: C5H4O2Molecular Weight: 96.084060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HYBBIBNJHNGZAN-UHFFFAOYSA-N

• 1,2-Propanediol
IUPAC Name: propane-1,2-diol | CAS Registry Number: 57-55-6
Synonyms: propylene glycol, 1,2-propanediol, Sirlene, propane-1,2-diol, Trimethyl glycol, Dowfrost, 2-Hydroxypropanol, Methylethyl glycol, Solargard P, 2,3-Propanediol, 1,2-Propylene glycol, Methyl glycol, Monopropylene glycol, propanediol, Methylethylene glycol, Isopropylene glycol, Solar Winter BAN, dl-Propylene glycol, 1,2-dihydroxypropane, alpha-Propyleneglycol

Molecular Formula: C3H8O2Molecular Weight: 76.094420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N

• 1-Alfa-Alanine
IUPAC Name: 2-aminopropanoic acid | CAS Registry Number: 302-72-7
Synonyms: alanine, DL-ALANINE, D-alanine, L-alanine, alanin, alanina, DL-alpha-Alanine, D,L-Alanine, Poly-DL-alanine, .alpha.-Alanine, Alanine, DL-, D-.alpha.-Alanine, (R,S)-Alanine, 2-Aminopropanoic acid, 2-Aminopropionic acid, (+-)-Alanine, (R)-Alanine, (S)-Alanine, Alanine, D-, L-.alpha.-Alanine

Molecular Formula: C3H7NO2Molecular Weight: 89.093180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N

• 1-Bromobutane
IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 4-Methyl Phenol
IUPAC Name: 4-methylphenol | CAS Registry Number: 106-44-5
Synonyms: P-CRESOL, 4-Methylphenol, 4-Hydroxytoluene, p-Methylphenol, 4-Cresol, p-Tolyl alcohol, p-Oxytoluene, p-Hydroxytoluene, Phenol, 4-methyl-, p-Kresol, p-Toluol, para-Cresol, p-Cresylic acid, cresol, para-Cresylic acid, Paracresol, Paramethyl phenol, Tricresol, Cresols, p-Methylhydroxybenzene

Molecular Formula: C7H8OMolecular Weight: 108.137820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IWDCLRJOBJJRNH-UHFFFAOYSA-N

• 1,1,2-Trichloroethane
IUPAC Name: 1,1,2-trichloroethane | CAS Registry Number: 79-00-5
Synonyms: Vinyltrichloride, Vinyl trichloride, beta-Trichloroethane, Ethane trichloride, 1,1,2-TRICHLOROETHANE, .beta.-T, Ethane, 1,1,2-trichloro-, beta-T, 1,2,2-Trichloroethane, 1,1,2-Trichlorethane, Caswell No. 875A, TRICHLOROETHANE, .beta.-Trichloroethane, Trojchloroetan(1,1,2), 1,1,2-Trichloraethan, RCRA waste no. U227, RCRA waste number U227, RCRA waste number U359, WLN: GYG1G, CCRIS 602

Molecular Formula: C2H3Cl3Molecular Weight: 133.404220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UBOXGVDOUJQMTN-UHFFFAOYSA-N

• 1,4-Dioxane
IUPAC Name: 1,4-dioxane | CAS Registry Number: 123-91-1
Synonyms: p-Dioxane, Dioxane, Dioxan, Diethylene ether, 1,4-DIOXANE, Diethylene oxide, Diokan, Di(ethylene oxide), Tetrahydro-p-dioxin, Diethylene dioxide, para-Dioxane, Dioxyethylene ether, 1,4-Diethylene dioxide, Dioxane-1,4, Dioxanne, Glycolethylenether, Dioksan, Glycol ethylene ether, Diox, :dioxane

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N

• 2,3-Dichloropyrazine
IUPAC Name: 2,3-dichloropyrazine | CAS Registry Number: 4858-85-9
Synonyms: Pyrazine, 2,3-dichloro-, 465208_ALDRICH, ZINC02168474, CID78575, EINECS 225-460-1, TL8003267

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MLCNOCRGSBCAGH-UHFFFAOYSA-N

• 2-Alcoholpyridine
• 2-Amino-3-Hydroxypyridine
IUPAC Name: 2-aminopyridin-3-ol | CAS Registry Number: 16867-03-1
Synonyms: 2-Amino-3-pyridinol, 2-Amino-3-pyridol, 2-AMINO-3-HYDROXYPYRIDINE, 2-Aminopyridin-3-ol, 3-Hydroxy-2-pyridinamine, 3-Pyridinol, 2-amino, 3-Pyridinol, 2-amino-, 122513_ALDRICH, 08208_FLUKA, NSC136806, BB_SC-1724, CID28114, EINECS 240-886-8, NSC 136806, 3-Pyridinol, 2-amino- (8CI)(9CI), A179, AI3-61061, TL8001306

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BMTSZVZQNMNPCT-UHFFFAOYSA-N

• 5-Methyl-2-Pyridinamine
IUPAC Name: 5-methylpyridin-2-amine | CAS Registry Number: 1603-41-4
Synonyms: 3-Picoline, 6-amino-, 6-Amino-3-picoline, 2-Amino-5-methylpyridine, 2-Pyridinamine, 5-methyl-, 2-AMINO-5-PICOLINE, 5-Methyl-2-pyridinamine, 5-Methyl-2-pyridylamine, 5-Methyl-2-aminopyridine, 6-Amino-3-methylpyridine, 5-methylpyridin-2-ylamine, NCIOpen2_001614, 5-METHYLPYRIDIN-2-AMINE, A75684_ALDRICH, NSC 1489, EINECS 216-503-5, NSC1489, NSC 96444, NSC96444, BRN 0107050, SBB004353

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CMBSSVKZOPZBKW-UHFFFAOYSA-N

• 2,6-Lutidine
IUPAC Name: 2,6-dimethylpyridine | CAS Registry Number: 108-48-5
Synonyms: 2,6-Dimethylpyridine, Lutidine, Pyridine, 2,6-dimethyl-, alpha,alpha'-Lutidine, 2,6-LUTIDINE, 2,6-Dimethypyridine, alpha,alpha'-Dimethylpyridine, HSDB 79, FEMA No. 3540, .alpha.,.alpha.'-Lutidine, .alpha.,.alpha.'-Dimethylpyridine, W354007_ALDRICH, 336106_ALDRICH, L3900_SIAL, NSC 2155, 04991_FLUKA, CHEBI:32548, EINECS 203-587-3, NSC2155, ZINC00967330

Molecular Formula: C7H9NMolecular Weight: 107.153060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OISVCGZHLKNMSJ-UHFFFAOYSA-N

• 1,3-Dioxolane
IUPAC Name: 1,3-dioxolane | CAS Registry Number: 646-06-0
Synonyms: Glycolformal, Formal glycol, Glycol formal, 1,3-DIOXOLANE, Dioxolan [Czech], 1,3-Dioxolan, 1,3-Dioxacyclopentane, DIOXOLANE, Ethylene glycol formal, Glycol methylene ether, Ethylene glycol, formal, 1,3-Dioxole, dihydro-, Formaldehyde ethylene acetal, CCRIS 4912, HSDB 5737, Ethylene glycol methylene ether, 184497_ALDRICH, 271020_ALDRICH, EINECS 211-463-5, UN1166

Molecular Formula: C3H6O2Molecular Weight: 74.078540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WNXJIVFYUVYPPR-UHFFFAOYSA-N

• 1,3-Dichloroacetone
IUPAC Name: 1,3-dichloropropan-2-one | CAS Registry Number: 534-07-6
Synonyms: s-Dichloroacetone, sym-Dichloroacetone, 1,3-Dichloropropanone, sGQDLHbqBRwSP@, Bis(chloromethyl) ketone, 2-Propanone, 1,3-dichloro-, Bis(chloromethyl)ketone, 1,3-Dichloro-2-propanone, Acetone, 1,3-dichloro, Ambap2889, BISCHLOROMETHYL KETONE, .alpha.,.alpha.'-Dichloroacetone, CCRIS 1942, 1,3-Dichloroacetona [Spanish], 1,3-Dichloroacetone solution, Dichloro-1,3 acetone [French], HSDB 6391, 168548_ALDRICH, NSC 8745, .alpha.,.gamma.-Dichloroacetone

Molecular Formula: C3H4Cl2OMolecular Weight: 126.969260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N

• 2-Aminopyridine
IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N


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