Basic information
- CAS
66968-17-0- Standard SMILES
CC1CC(C)(C)CCC(=O)N1.Cl- InChIKey
CSADMOJHKAPLRK-UHFFFAOYSA-N- Molecular formula
- C9H18ClNO
- Average molar mass
- 191.7 g/mol
- Monoisotopic mass
- 191.1076919
Names & identifiers
- Preferred name
- 2,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)
- IUPAC
- 5,5,7-trimethylazepan-2-one;hydrochloride
- English name
- Hexahydro-5,5,7-trimethyl-2H-azepin-2-one
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
DTXSID4098574166968-17-02,4,4-Trimethyl-3,4,5,6-tetrahydro-2H-azepin-7-ol--hydrogen chloride (1/1)RefChem:1059568DTXCID701412932Trimethylhexanone isoxime hydrochlorideHexahydro-5,5,7-trimethyl-2H-azepin-2-one hydrochloride2H-Azepin-2-one, hexahydro-5,5,7-trimethyl-, hydrochlorideTrimethylhexanone isoximeHexahydro-5,5,7-trimethyl-2H-azepin-2-one2H-Azepin-2-one, hexahydro-5,5,7-trimethyl-
Database identifiers
- CAS
66968-17-0- PubChem CID
- 48716
- DTXSID
DTXSID40985741
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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