1-Phthalancarbonitrile, 3,3-dimethyl-1-(3-(methylamino)propyl)-, hydrochloride

HCID 211015

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Basic information

CAS: 22048-60-8
Standard SMILES: CNCCCC1(C#N)OC(C)(C)c2ccccc21.Cl
InChIKey: XJRHFWUNXDGVNU-UHFFFAOYSA-N
Molecular formula: C15H21ClN2O
Average molar mass: 280.79 g/mol
Monoisotopic mass: 280.134241

Names & identifiers

Preferred name: 1-Phthalancarbonitrile, 3,3-dimethyl-1-(3-(methylamino)propyl)-, hydrochloride
IUPAC: 3,3-dimethyl-1-[3-(methylamino)propyl]-2-benzofuran-1-carbonitrile;hydrochloride

Names & synonyms

LU 4-012 hydrochloride22048-60-81-Phthalancarbonitrile, 3,3-dimethyl-1-(3-(methylamino)propyl)-, hydrochloride3,3-Dimethyl-1-(3-(methylamino)propyl)-1-phthalancarbonitrile hydrochloride1-Isobenzofurancarbonitrile, 1,3-dihydro-3,3-dimethyl-1-(3-(methylamino)propyl)-, HClRefChem:233299DTXSID009446723,3-Dimethyl-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-1-carbonitrile--hydrogen chloride (1/1)

Database identifiers

CAS: 22048-60-8
PubChem CID: 211015
DTXSID: DTXSID00944672

Properties

Computed structural properties

Topological polar surface area: 45.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 344

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