UCSF

ZINC01697731

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 Yes

Popular Name: 4'-PENTYLACETOPHENONE 4'-PENTYLACETOPHENONE

Find On: PubMed — Wikipedia — Google

CAS Number: 37593-02-5

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) 4.21 2.53 -6.09 0 1 0 17 190.286 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 132-133?/4mm Alfa-Aesar
Boiling_Point 132-133°/4mm Alfa-Aesar
BP 145 / 11.3 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98.5% APIChem
PUBCHEM_PATENT_ID EP0291247A2; EP0291247B1; EP0294937A2; EP0294937B1; EP0296878A2; EP0296878B1; EP0308438A1; EP0308438B1; EP0328669A1; EP0665119B1; EP0873881A1; EP0908501A1; US4174307; US4214965; US4269680; US4863963; US5037852; US5084204; US5093366; US5110621; US5114794 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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