Carbanilic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, hydrate

HCID 49519

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Basic information

CAS: 67195-97-5
Standard SMILES: CCC(OC(=O)Nc1ccccc1)C(CC(C)[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey: HBJXDGSTZDYONO-UHFFFAOYSA-N
Molecular formula: C28H35ClN2O2
Average molar mass: 467 g/mol
Monoisotopic mass: 466.2387061

Names & identifiers

Preferred name: Carbanilic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, hydrate
IUPAC: [4,4-diphenyl-5-(phenylcarbamoyloxy)heptan-2-yl]-dimethylazanium chloride

Names & synonyms

Carbanilic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride, hydrate67195-97-5RefChem:1081028(4-(Dimethylamino)-2,2-diphenyl-1-ethyl)pentyl carbanilate hydrochloride hydrate

Database identifiers

CAS: 67195-97-5
PubChem CID: 49519

Properties

Computed structural properties

Topological polar surface area: 42.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 33
Formal charge: 0
Complexity: 528

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