1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thiazolyl)-, hydrobromide
Basic information
- CAS
33537-62-1- Standard SMILES
Br.O=C(CCCN1CCCCCC1)c1nccs1- InChIKey
DLRKQWVDBLNAJW-UHFFFAOYSA-N- Molecular formula
- C13H21BrN2OS
- Average molar mass
- 333.29 g/mol
- Monoisotopic mass
- 332.0558
Names & identifiers
- Preferred name
- 1-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thiazolyl)-, hydrobromide
- IUPAC
- 4-(azepan-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one;hydrobromide
Names & synonyms
33537-62-11-Butanone, 4-(hexahydro-1H-azepin-1-yl)-1-(2-thiazolyl)-, hydrobromide4-(Hexahydro-1H-azepin-1-yl)-1-(2-thiazolyl)-1-butanone hydrobromideDTXSID70187190(Thiazolyl-2)(gamma-N-hexamethylene-imino-propyl)ketone hydrobromideRefChem:228941DTXCID801096814-(azepan-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one hydrobromide4-(Azepan-1-yl)-1-(thiazol-2-yl)butan-1-one hydrobromide4-(Azepan-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one--hydrogen bromide (1/1)
Database identifiers
- CAS
33537-62-1- PubChem CID
- 214610
- DTXSID
DTXSID70187190
Properties
Computed structural properties
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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