UCSF

ZINC20177876

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 10 Yes

Popular Name: 1-(methylamino)cyclohexanecarbonitrile 1-(methylamino)cyclohexanecarbon…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6289-40-3 , [6289-40-3]

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) 1.86 2.16 -7.24 1 2 0 36 138.214 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4173567; US4242489; US4247689 IBM Patent Data

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