UCSF

ZINC02539326

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 4-SEC-BUTYLANILINE 4-SEC-BUTYLANILINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 181288-08-4 , 30273-11-1 , [30273-11-1]

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) 2.87 0.11 -2.25 2 1 0 26 149.237 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 238 TCI
BP 238° Matrix Scientific
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0927715A1; EP0962448A2; US5872292; US6004482; US6031137; WO1998032793A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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