UCSF

ZINC02570519

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 1-(3-Aminophenyl)propan-1-one 1-(3-Aminophenyl)propan-1-one

Find On: PubMed — Wikipedia — Google

CAS Number: 1197-05-3

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) 1.39 3.61 -7.06 2 2 0 43 149.193 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
PUBCHEM_PATENT_ID EP0960100A1; US6028035 IBM Patent Data

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