1H-Azepin-1-pentanol, hexahydro-alpha,alpha,epsilon-trimethyl-, hydrochloride
Basic information
- CAS
37096-80-3- Standard SMILES
CC(CCCC(C)(C)O)N1CCCCCC1.Cl- InChIKey
SJRWHMIJKAUZAA-UHFFFAOYSA-N- Molecular formula
- C14H30ClNO
- Average molar mass
- 263.85 g/mol
- Monoisotopic mass
- 263.2015923
Names & identifiers
- Preferred name
- 1H-Azepin-1-pentanol, hexahydro-alpha,alpha,epsilon-trimethyl-, hydrochloride
- IUPAC
- 6-(azepan-1-yl)-2-methylheptan-2-ol;hydrochloride
Names & synonyms
37096-80-31H-Azepin-1-pentanol, hexahydro-alpha,alpha,epsilon-trimethyl-, hydrochlorideRefChem:1057779Hexahydro-alpha,alpha,epsilon-trimethyl-1H-azepin-1-pentanol hydrochlorideDTXSID709582616-(Azepan-1-yl)-2-methylheptan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
37096-80-3- PubChem CID
- 216093
- DTXSID
DTXSID70958261
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…