UCSF

ZINC00161486

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: tert-Butyl 3-aminobenzoate tert-Butyl 3-aminobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 92146-82-2 , [92146-82-2]

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) 2.35 0.71 -6.07 2 3 0 52 193.246 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0968198A1; WO1998028268A2; WO1998038177A1; WO1999067221A1 IBM Patent Data

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