Completing data — usually done within a minute
Basic information
- CAS
62596-03-6- Standard SMILES
CC(C)C1CCNC(=O)CC1- InChIKey
KSLKLDCFPUXPSH-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
Names & identifiers
- Preferred name
- 5-(Propan-2-yl)azepan-2-one
- IUPAC
- 5-propan-2-ylazepan-2-one
Names & synonyms
5-(propan-2-yl)azepan-2-one62596-03-65-propan-2-ylazepan-2-one5-Isopropyl-azepan-2-oneSCHEMBL4455443KSLKLDCFPUXPSH-UHFFFAOYSA-NAKOS033223632EN300-77414G35568Z1197664821
Database identifiers
- CAS
62596-03-6- PubChem CID
- 12349309
- EC Number
- 880-738-5
- Nikkaji
- J801.542B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
4 records
Compound notes
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