UCSF

ZINC02149929

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 11 No

Popular Name: 3-Methyl-5-nitroaniline 3-Methyl-5-nitroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 618-61-0 , 618-61-1 , [618-61-1]

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) 1.35 -0.01 -7.01 2 4 0 71 152.153 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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