3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
Basic information
- CAS
73747-23-6- Standard SMILES
CCC(C(=O)OCCC[NH+](CC)CC)c1ccccc1.[Cl-]- InChIKey
SMLCJXXABWLANF-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO2
- Average molar mass
- 313.9 g/mol
- Monoisotopic mass
- 313.1808568
Names & identifiers
- Preferred name
- 3-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[3-(2-phenylbutanoyloxy)propyl]azanium chloride
Names & synonyms
73747-23-6DTXSID509946273-(Diethylamino)propyl 2-phenylbutanoate--hydrogen chloride (1/1)RefChem:1067063DTXCID2014216593-(Diethylamino)propyl 2-phenylbutyrate hydrochloridePropanol, 3-(diethylamino)-, 2-phenylbutyrate hydrochloridealpha-Phenyl-butyrate du diethylamino-propanolchlorhydrate [French]BUTYRIC ACID, 2-PHENYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDEalpha-Phenyl-butyrate du diethylamino-propanolchlorhydrate
Database identifiers
- CAS
73747-23-6- PubChem CID
- 52341
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 258
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Related reactions
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Compound notes
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