UCSF

ZINC05363664

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 15 No

Popular Name: Methyl 4-(methylamino)-3-nitrobenzoate Methyl 4-(methylamino)-3-nitrobe…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 36242-50-9 , [36242-50-9]

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) 1.85 4.8 -10.99 1 6 0 84 210.189 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 146 - 148 KeyOrganics
MP 146-148° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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