UCSF

ZINC00409234

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Popular Name: 3-methoxy-N-phenylaniline 3-methoxy-N-phenylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 101-16-6 , [101-16-6]

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) 3.96 0.58 -5.32 1 2 0 21 199.253 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 160 / 2 TCI
MP 71 TCI
MP 72 - 74 Enamine Building Blocks
Melting_Point 72-74? Alfa-Aesar
MP 72...74 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
PUBCHEM_PATENT_ID US5763596 IBM Patent Data

Activity (Go SEA)

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