UCSF

ZINC03333288

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 11 Yes

Popular Name: 1-phenylbutan-1-amine 1-phenylbutan-1-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2941-19-7 , 3789-60-4 , 6150-01-2 , 91251-22-8 , [2941-19-7]

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) 0.86 4.83 -42.57 3 1 1 28 150.245 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 220? Alfa-Aesar
Boiling_Point 220° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US4136100 IBM Patent Data

Activity (Go SEA)

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