UCSF

ZINC05309291

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 14 No

Popular Name: N-butyl-3-nitroaniline N-butyl-3-nitroaniline

Find On: PubMed — Wikipedia — Google

CAS Number: 98326-78-4

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) 3.17 0.34 -6.43 1 4 0 57 194.234 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4642378; US4752621 IBM Patent Data

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