UCSF

ZINC04113984

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 14 No

Popular Name: 4-(tert-butyl)-2-nitroaniline 4-(tert-butyl)-2-nitroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6310-19-6 , [6310-19-6]

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) 3.01 1.03 -6.5 2 4 0 71 194.234 2 ↓
Hi High (pH 8-9.5) 1.57 5.84 -102.52 8 9 2 142 511.577 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 101-104° Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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