UCSF

ZINC19509068

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 12 Yes

Popular Name: 1-(aminomethyl)-N,N,3-trimethylcyclohexan-1-amine 1-(aminomethyl)-N,N,3-trimethylc…

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CAS Number: 1017057-31-6

Other Names:

MFCD09946464

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) 1.13 4.2 -120.04 4 2 2 32 172.316 2 ↓
Mid Mid (pH 6-8) 1.13 2.15 -41.41 3 2 1 31 171.308 2 ↓
Mid Mid (pH 6-8) 1.13 3.62 -28.04 3 2 1 30 171.308 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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