Basic information
- CAS
143380-90-9- Standard SMILES
Cl.O=C(CCCN1CCCCCC1)c1cccs1- InChIKey
MLLRAYIDTVKIMZ-UHFFFAOYSA-N- Molecular formula
- C14H22ClNOS
- Average molar mass
- 287.8 g/mol
- Monoisotopic mass
- 287.1110632
Names & identifiers
- Preferred name
- 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride
- IUPAC
- 4-(azepan-1-yl)-1-thiophen-2-ylbutan-1-one;hydrochloride
Names & synonyms
CRL 416831-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-, hydrochloride143380-90-94-Hexamethylenimino-1-(2-thienyl)butanone hydrochloride4-(Hexahydro-1H-azepin-1-yl)-1-(2-thienyl)-1-butanone hydrochlorideDTXSID50162405RefChem:228942DTXCID6084896SCHEMBL91205104-(Azepan-1-yl)-1-(thiophen-2-yl)butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
143380-90-9- PubChem CID
- 3072575
- DTXSID
DTXSID50162405
Properties
Computed structural properties
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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