Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride
Basic information
- CAS
17781-96-3- Standard SMILES
CCN(CC)CC#CCOC(=O)C1(c2ccccc2)CCCCC1.Cl- InChIKey
CGMIPPASCMWPPE-UHFFFAOYSA-N- Molecular formula
- C21H30ClNO2
- Average molar mass
- 363.9 g/mol
- Monoisotopic mass
- 363.1965069
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride
- IUPAC
- 4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate;hydrochloride
Names & synonyms
Cyclohexanecarboxylic acid, 1-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride4-(Diethylamino)-2-butynyl 1-phenylcyclohexanecarboxylate hydrochloride17781-96-3DTXSID70170385RefChem:335328DTXCID50928764-(Diethylamino)but-2-yn-1-yl 1-phenylcyclohexane-1-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
17781-96-3- PubChem CID
- 205332
- DTXSID
DTXSID70170385
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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