4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)
4-(azepan-1-ium-1-yl)butan-2-one chloride
Also Known As: TG-1|RefChem:1070036|AC1L1TD2|AC1Q1SE9|1-(3-oxobutyl)azepanium chloride|INUXMLQXVLOVNR-UHFFFAOYSA-N|4-(azepan-1-ium-1-yl)butan-2-one|4-(azepan-1-ium-1-yl)butan-2-one chloride|4-(Hexahydro-1H-azepin-1-yl)-2-butanone hydrochloride|2-BUTANONE, 4-(HEXAHYDRO-1H-AZEPIN-1-YL)-, HYDROCHLORIDE|4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1)
| Molecular Formula | C10H20ClNO |
|---|---|
| Molecular Weight | 205.12334 g/mol |
| LogP | -2.57 |
| Topological Polar Surface Area | 21.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.12334 |
| Heavy Atoms | 13 |
| Complexity | 141.9 |
Chemical Identifiers
| CAS Number | 111472-70-9 |
|---|---|
| SMILES | CC(=O)CC[NH+]1CCCCCC1.[Cl-] |
Product Overview
4-(Azepan-1-yl)butan-2-one--hydrogen chloride (1/1) (CAS 111472-70-9), with molecular formula C10H20ClNO and molecular weight 205.12334 g/mol. IUPAC: 4-(azepan-1-ium-1-yl)butan-2-one chloride.
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