UCSF

ZINC00043552

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 Yes

Popular Name: Ethyl 3-amino-3-(4-methylphenyl)propionate hydrochloride Ethyl 3-amino-3-(4-methylphenyl)…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 502842-12-8 , 94104-32-2

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) 0.08 5.67 -40.12 3 3 1 54 208.281 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1999002549A1 IBM Patent Data

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