UCSF

ZINC03785357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 9 Yes

Popular Name: 3-aminoazepan-2-one 3-aminoazepan-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17929-90-7 , 21568-87-6 , 26081-03-8 , 26081-07-2 , 28957-33-7 , 29426-64-0 , 671-42-1 , [26081-03-8] , [28957-33-7] , [29426-64-0] , [671-42-1]

Download: MOL2 SDF SMILES Flexibase

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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) -0.81 -0.75 -46.15 4 3 1 57 129.183 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 168-172° Oakwood Chemical
BP 168-172°/13 Torr Matrix Scientific
BP 168-172°/13mm Oakwood Chemical
BP 172 / 13 TCI
MP 294 TCI
MP 54 - 56 Enamine Building Blocks
MP 54...56 Enamine Building Blocks
MP 58 - 60 Enamine Building Blocks
MP 68-69° Matrix Scientific
MP 77 TCI
MP 77° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
Patent Database Links US2005020659 ChEBI

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