UCSF

ZINC00395596

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 No

Popular Name: 1-Vinylazepan-2-one 1-Vinylazepan-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2235-00-9 , [2235-00-9]

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) 1.38 4.6 -7.71 0 2 0 20 139.198 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 128?/21mm Alfa-Aesar
Boiling_Point 128°/21mm Alfa-Aesar
Melting_Point 32-36? Alfa-Aesar
Melting_Point 32-36° Alfa-Aesar
MP 35 - 38 Enamine Building Blocks
MP 35...38 Enamine Building Blocks
MP 36 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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