UCSF

ZINC04030007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 14 Yes

Other Names:

(1R,2R)-N1,N1-Dimethylcyclohexane-1,2-diamine dihydrochloride

(1R,3R)-rel-3-Aminocyclopentanol hydrochloride hydrate

(R)-Morpholin-2-ylmethanol hydrochloride

(S)-2-Amino-1-(pyridin-3-yl)ethanol hydrochloride

(S)-Methyl morpholine-3-carboxylate hydrochloride

1,2,3,4-Tetrahydro-2,6-naphthyridine hydrochloride

1-(2-Bromo-3-(trifluoromethoxy)phenyl)ethanone

1-(2-Chloro-5-methylpyrimidin-4-yl)ethanone

1-Bromo-2,5-difluoro-3-methylbenzene

1H-Imidazole-4-sulfonyl chloride hydrochloride

2,6-Dichloro-5-fluoropyridin-3-amine hydrochloride

2-Chloro-3-(chloromethyl)pyrazine hydrochloride

2-Methyl-4-(trifluoromethyl)pyridine hydrochloride

3,3-Difluorocyclohexanamine hydrochloride

3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride; Isoquinoline, 3,4-dihydro-6,7-dimethoxy-, hydrochloride; LS-85521; NSC 216069

3-(Methylsulfonyl)azetidine hydrochloride

3-Aminopicolinic acid hydrochloride

3-Bromo-4-nitropyridine hydrochloride

3-Cyclopropyl-1H-pyrazol-5-amine hydrochloride

4-(2-Phenylpropan-2-yl)aniline hydrochloride

4-(Aminomethyl)benzenesulfonamide hydrochloride hydrate

4-(Dibenzylamino)cyclohexanone hydrochloride

4-(Trifluoromethyl)pyrimidin-2-ol

4-Methylpyrimidin-2-ol

5-(Piperazin-1-yl)pyrimidine hydrochloride

6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride

6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride hydrate

6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride hydrate, 99+%

6,7-Dimethoxy-3,4-dihydroisoquinoline hydrochloride, 98%

6,7-Dimethoxy-3,4-dihydroisoquinoline, 97%

6,7-Dimethoxy-3,4-dihydroisoquinoline, HCl

6,7-Dimethoxy-3,4-dihydroisoquinoline, HCl hydrate

6,7-Dimethoxy-3,4-dihydroisoquinolinehydrochloride hydrate

6,7-Dimethoxy-3,4-dihydroisoquinolinehydrochloridehydrate

7-Bromoquinolin-5-amine

7-Methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-amine dihydrochloride

DIMETHOXYDIHYDROISOQUINOLINEHYDROCHLORIDEHYDRAT

Ethyl 2-(3-piperidinylidene)acetate hydrochloride

Methyl 6-chloro-3-(trifluoromethyl)picolinate

MFCD00143492

MFCD00266748

MFCD11099370

MFCD11878025

MFCD20258876

MFCD21603709

N/A

NA

Piperidin-1-ium acetate hydrate

Piperidin-3-one hydrochloride hydrate

Pyrrolidin-3-ylmethanol hydrochloride hydrate

QB-8325

Sodium 2-(6-methylpyridin-2-yl)acetate

tert-Butyl?1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate

Thieno[3,2-f]quinoline-2-carboxylic acid

trans-N1,N1-Dimethylcyclohexane-1,2-diamine hydrochloride

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 3.97 -39.1 1 3 1 32 192.238 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 155-161?/1mm Alfa-Aesar
Mp [°C] 198 - 202 Acros Organics
Melting_Point 198-202? Alfa-Aesar
MP 198...202 Enamine Building Blocks
Melting_Point 39-40? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )