UCSF

ZINC02019576

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 6 Yes

Popular Name: 1-Amino-2-butanol 1-Amino-2-butanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 135503-09-2 , 13552-21-1 , [13552-21-1]

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) -0.65 -2.11 -40.45 4 2 1 48 90.146 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 169 TCI
BP 169° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0490765A2; EP0490765A3; EP0787718B1; EP0936906A1 IBM Patent Data
Warnings Flammable/Corrosive/Hygroscopic Matrix Scientific
Warnings HYGROSCOPIC, FLAMMABLE, CORROSIVE Matrix Scientific

Activity (Go SEA)

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