2-(Diethylamino)ethyl 2-ethyl-3-methyl-2-phenylpentanoate--hydrogen chloride (1/1)
Basic information
- CAS
29620-40-4- Standard SMILES
CCC(C)C(CC)(C(=O)OCCN(CC)CC)c1ccccc1.Cl- InChIKey
XBOKQYSWEHBJPT-UHFFFAOYSA-N- Molecular formula
- C20H34ClNO2
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.227807
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 2-ethyl-3-methyl-2-phenylpentanoate--hydrogen chloride (1/1)
- IUPAC
- 2-(diethylamino)ethyl 2-ethyl-3-methyl-2-phenylpentanoate;hydrochloride
Names & synonyms
29620-40-4DTXSID609520912-(Diethylamino)ethyl 2-ethyl-3-methyl-2-phenylpentanoate--hydrogen chloride (1/1)RefChem:1061654DTXCID701380191GP 249 hydrochloride2-Ethyl-3-methyl-2-phenylvaleric acid 2-(diethylamino)ethyl ester hydrochlorideBenzeneacetic acid, alpha-ethyl-alpha-(1-methylpropyl)-, 2-(diethylamino)ethyl ester, HClPentanoic acid, 2-ethyl-3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochlorideValeric acid, 2-ethyl-3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, monohydrochloride
Database identifiers
- CAS
29620-40-4- PubChem CID
- 207304
- DTXSID
DTXSID60952091
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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