Basic information
- CAS
18075-19-9- Standard SMILES
Cl.O=C(CCN1CCCCCC1)c1ccccc1- InChIKey
YITTXPXUJCRUFH-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO
- Average molar mass
- 267.79 g/mol
- Monoisotopic mass
- 267.138992
Names & identifiers
- Preferred name
- Propiophenone, 3-(hexahydro-1H-azepin-1-yl)-, hydrochloride
- IUPAC
- 3-(azepan-1-yl)-1-phenylpropan-1-one;hydrochloride
Names & synonyms
Propiophenone, 3-(hexahydro-1H-azepin-1-yl)-, hydrochloride18075-19-93-(Hexahydro-1H-azepin-1-yl)propiophenone hydrochlorideDTXSID20171009NSC 39236RefChem:375382DTXCID0093500TG-33-(azepan-1-yl)-1-phenylpropan-1-one;hydrochlorideMLS000120970Cambridge id 5473749CHEMBL1547833
Show more names
SCHEMBL29354698YITTXPXUJCRUFH-UHFFFAOYSA-NCCG-8763NSC39236NSC-392363-Azepan-1-yl-1-phenyl-propan-1-oneSMR000118410BIM-0021096.P001
Database identifiers
- CAS
18075-19-9- PubChem CID
- 205489
- DTXSID
DTXSID20171009- ChEMBL
CHEMBL1547833
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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