4-(Diethylamino)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
95133-27-0- Standard SMILES
CC[NH+](CC)CC#CCOC(=O)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
YEUMQZJIZLCVTJ-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO2
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1652068
Names & identifiers
- Preferred name
- 4-(Diethylamino)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- 4-(2,2-diphenylacetyl)oxybut-2-ynyl-diethylazanium chloride
Names & synonyms
95133-27-0DTXSID509150994-(Diethylamino)but-2-yn-1-yl diphenylacetate--hydrogen chloride (1/1)RefChem:1070086DTXCID001344081Diphenylacetic acid 4-(diethylamino)-2-butynyl ester hydrochlorideACETIC ACID, DIPHENYL-, 4-(DIETHYLAMINO)-2-BUTYNYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
95133-27-0- PubChem CID
- 56864
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 427
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Compound notes
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