Basic information
- CAS
37672-43-8- Standard SMILES
CCCCCCN1CCCCCC1=O- InChIKey
JDQRYRLJZGMNIB-UHFFFAOYSA-N- Molecular formula
- C12H23NO
- Average molar mass
- 197.32 g/mol
- Monoisotopic mass
- 197.17796436
Names & identifiers
- Preferred name
- 1-Hexylazepan-2-one
- IUPAC
- 1-hexylazepan-2-one
Names & synonyms
37672-43-81-hexylazepan-2-one2H-Azepin-2-one, 1-hexylhexahydro-1-hexyl-2-azacycloheptanoneSCHEMBL6649371-n-Hexylazacycloheptan-2-oneDTXSID90958708JDQRYRLJZGMNIB-UHFFFAOYSA-NN-HEXYL-EPSILON-CAPROLACTAMAKOS004908730Q63409022
Database identifiers
- CAS
37672-43-8- PubChem CID
- 181537
- DTXSID
DTXSID90958708- Nikkaji
- J45.997F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Related reactions
4 records
Compound notes
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