1H-Azepine-1-ethanol, hexahydro-alpha-(((1-methylethyl)amino)methyl)-, dihydrochloride
Basic information
- CAS
104317-89-7- Standard SMILES
CC(C)[NH2+]CC(O)C[NH+]1CCCCCC1.[Cl-].[Cl-]- InChIKey
CGLBQDDNZLHDSV-UHFFFAOYSA-N- Molecular formula
- C12H28Cl2N2O
- Average molar mass
- 287.27 g/mol
- Monoisotopic mass
- 286.1578689
Names & identifiers
- Preferred name
- 1H-Azepine-1-ethanol, hexahydro-alpha-(((1-methylethyl)amino)methyl)-, dihydrochloride
- IUPAC
- [3-(azepan-1-ium-1-yl)-2-hydroxypropyl]-propan-2-ylazanium dichloride
Names & synonyms
1H-Azepine-1-ethanol, hexahydro-alpha-(((1-methylethyl)amino)methyl)-, dihydrochloride104317-89-7Hexahydro-alpha-(((1-methylethyl)amino)methyl)-1H-azepine-1-ethanol dihydrochlorideRefChem:237374
Database identifiers
- CAS
104317-89-7- PubChem CID
- 59834
Properties
Computed structural properties
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 154
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Compound notes
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