Basic information
- CAS
3197-88-4- Standard SMILES
CC[NH+](CC)CC#CC(O)(c1ccccc1)C1CCCC1.[Cl-]- InChIKey
GVLRERVJTBXOSR-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.1859422
Names & identifiers
- Preferred name
- 1-Cyclopentyl-4-(diethylamino)-1-phenylbut-2-yn-1-ol--hydrogen chloride (1/1)
- IUPAC
- (4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-diethylazanium chloride
Names & synonyms
3197-88-4DTXSID809538631-Cyclopentyl-4-(diethylamino)-1-phenylbut-2-yn-1-ol--hydrogen chloride (1/1)RefChem:1055331DTXCID801381904Benzyl alcohol, alpha-cyclopentyl-alpha-(3-(diethylamino)-1-propynyl)-, hydrochloridealpha-Cyclopentyl-alpha-(3-(diethylamino)-1-propynyl)benzyl alcohol hydrochlorideBenzenemethanol, alpha-cyclopentyl-alpha-(3-(diethylamino)-1-propynyl)-, hydrochloride
Database identifiers
- CAS
3197-88-4- PubChem CID
- 18535
Properties
Computed structural properties
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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