Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-

HCID 26892

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Basic information

CAS: 14780-12-2
Standard SMILES: CCCc1ccc(C(C#N)(CCN(C)C)C(C)C)cc1
InChIKey: RCEYYUXZDFAAHA-UHFFFAOYSA-N
Molecular formula: C18H28N2
Average molar mass: 272.4 g/mol
Monoisotopic mass: 272.2252489

Names & identifiers

Preferred name: Butyronitrile, 4-(dimethylamino)-2-isopropyl-2-(p-propylphenyl)-
IUPAC: 2-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propylphenyl)butanenitrile

Names & synonyms

BRN 21274614-(Dimethylamino)-2-isopropyl-2-(p-propylphenyl)butyronitrile14780-12-2BUTYRONITRILE, 4-(DIMETHYLAMINO)-2-ISOPROPYL-2-(p-PROPYLPHENYL)-RefChem:331359DTXSID109332142-[2-(dimethylamino)ethyl]-3-methyl-2-(4-propylphenyl)butanenitrile

Database identifiers

CAS: 14780-12-2
PubChem CID: 26892
DTXSID: DTXSID10933214

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 27 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 318

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