UCSF

ZINC02242651

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 8 Yes

Popular Name: 3-methylcyclohexanamine hydrochloride 3-methylcyclohexanamine hydrochl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 64869-64-3 , 6850-35-7 , 89854-71-7 , [6850-35-7] , [89854-71-7]

Download: MOL2 SDF SMILES Flexibase

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) 1.10 2.89 -39.34 3 1 1 28 114.212 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 151 TCI
BP 152-153°/752mm Oakwood Chemical
MP 173 - 175 Enamine Building Blocks
MP 173...175 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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