6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)
Basic information
- CAS
63916-74-5- Standard SMILES
CCC(OC(=O)c1ccccc1)C(CC(C)[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
CGJVQYXNMYLDBV-UHFFFAOYSA-N- Molecular formula
- C28H34ClNO2
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.227807
Names & identifiers
- Preferred name
- 6-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)
- IUPAC
- (5-benzoyloxy-4,4-diphenylheptan-2-yl)-dimethylazanium chloride
Names & synonyms
63916-74-5DTXSID209810246-(Dimethylamino)-4,4-diphenylheptan-3-yl benzoate--hydrogen chloride (1/1)RefChem:1073733DTXCID401408297BENZOIC ACID, 6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTYL ESTER, HYDROCHLORIDE3-Benzooxy-6-dimethylamino-4,4-diphenylheptane hydrochlorideBenzoic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride
Database identifiers
- CAS
63916-74-5- PubChem CID
- 45234
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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