6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
66967-59-7- Standard SMILES
CCC(OC(=O)Cc1ccccc1)C(CC(C)[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
JNNDASMRVKYNFX-UHFFFAOYSA-N- Molecular formula
- C29H36ClNO2
- Average molar mass
- 466.1 g/mol
- Monoisotopic mass
- 465.2434571
Names & identifiers
- Preferred name
- 6-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)
- IUPAC
- [4,4-diphenyl-5-(2-phenylacetyl)oxyheptan-2-yl]-dimethylazanium chloride
Names & synonyms
66967-59-7DTXSID709856986-(Dimethylamino)-4,4-diphenylheptan-3-yl phenylacetate--hydrogen chloride (1/1)RefChem:1073735DTXCID101412889Acetic acid, phenyl-, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloridePhenylacetic acid (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride
Database identifiers
- CAS
66967-59-7- PubChem CID
- 48621
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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