UCSF

ZINC01646477

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 4-Phenylcyclohexanone 4-Phenylcyclohexanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19125-34-9 , 4894-75-1 , [4894-75-1]

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) 2.49 1.47 -5.62 0 1 0 17 174.243 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 158-160?/12mm Alfa-Aesar
Boiling_Point 158-160°/12mm Alfa-Aesar
Mp [°C] 77 - 80 Acros Organics
MP 78 TCI
MP 78 - 80 Enamine Building Blocks
Melting_Point 78-82? Alfa-Aesar
Melting_Point 78-82° Alfa-Aesar
MP 78...80 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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