Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Basic information
- CAS
29620-39-1- Standard SMILES
CCC(C)C(C(=O)OCCN(CC)CC)c1ccccc1.Cl- InChIKey
WOZHHTPRCILNSK-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1965069
Names & identifiers
- Preferred name
- Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 3-methyl-2-phenylpentanoate;hydrochloride
- English name
- 2-(Diethylamino)ethyl alpha-phenyl-beta-methylvalerate hydrochloride
- Molecular weight
- 0
Names & synonyms
29620-39-1Valeric acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochlorideRefChem:11009052-(Diethylamino)ethyl alpha-phenyl-beta-methylvalerate hydrochlorideC 19972-(Diethylamino)ethyl 2-phenyl-3-methylpentanoate hydrochloride2-(Diethylamino)ethyl 2-phenyl-3-methylvalerate hydrochlorideBenzeneacetic acid, alpha-(1-methylpropyl)-, 2-(diethylamino)ethyl ester, hydrochlorideDTXSID009520902-(Diethylamino)ethyl 3-methyl-2-phenylpentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
29620-39-1- PubChem CID
- 207302
- DTXSID
DTXSID00952090
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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