UCSF

ZINC01711250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: N-benzylbutylamine N-benzylbutylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2403-22-7 , [2403-22-7]

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) 2.93 0.23 -38.2 2 1 1 16 164.272 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 182 / 200 TCI
Boiling_Point 87-89?/3mm Alfa-Aesar
Boiling_Point 87-89°/3mm Alfa-Aesar
Purity 98% Fluorochem
PUBCHEM_PATENT_ID US4927814 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.