UCSF

ZINC01850864

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 11 Yes

Popular Name: 4-Phenyl-2-butanol 4-Phenyl-2-butanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22148-86-3 , 2344-70-9 , 39516-03-5

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) 2.37 -0.76 -3.05 1 1 0 20 150.221 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 239 TCI
Boiling_Point 239? Alfa-Aesar
Boiling_Point 239° Alfa-Aesar
Purity 98% Fluorochem
PUBCHEM_PATENT_ID US5620827 IBM Patent Data
PUBCHEM_PATENT_ID US5760036; US5776933 IBM Patent Data

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