Acetic acid, diphenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride
Basic information
- CAS
24642-43-1- Standard SMILES
CCN(CC)CC#CC(C)OC(=O)C(c1ccccc1)c1ccccc1.Cl- InChIKey
JIWAVHWPBXALMM-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO2
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.1808568
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochloride
- IUPAC
- 5-(diethylamino)pent-3-yn-2-yl 2,2-diphenylacetate;hydrochloride
Names & synonyms
24642-43-1Acetic acid, diphenyl-, 4-(diethylamino)-1-methyl-2-butynyl ester, hydrochlorideRefChem:10758044-(Diethylamino)-1-methyl-2-butynyl diphenylacetate hydrochlorideDTXSID609475835-(Diethylamino)pent-3-yn-2-yl diphenylacetate--hydrogen chloride (1/1)
Database identifiers
- CAS
24642-43-1- PubChem CID
- 212673
- DTXSID
DTXSID60947583
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 455
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Compound notes
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