((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile

HCID 82049

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Basic information

CAS: 7547-47-9
Standard SMILES: CCN(CCC#N)c1ccc(C=C(C#N)C#N)c(C)c1
InChIKey: DLOOSWBMFRKOIU-UHFFFAOYSA-N
Molecular formula: C16H16N4
Average molar mass: 264.32 g/mol
Monoisotopic mass: 264.13749653

Names & identifiers

Preferred name: ((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrile
IUPAC: 2-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylidene]propanedinitrile
English name: [[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]methylene]malononitrile
Molecular formula: C16H16N4
Molecular weight: 264.32504

Names & synonyms

7547-47-9EINECS 231-431-4((4-((2-Cyanoethyl)ethylamino)-2-methylphenyl)methylene)malononitrileDTXSID50996924DLOOSWBMFRKOIU-UHFFFAOYSA-NNS00047753({4-[(2-Cyanoethyl)(ethyl)amino]-2-methylphenyl}methylidene)propanedinitrile[[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]methylene]malononitrile2-[[4-[(2-Cyanoethyl)ethylamino]-2-methylphenyl]methylene]malononitrile

Database identifiers

CAS: 7547-47-9
PubChem CID: 82049
DTXSID: DTXSID50996924
EC Number: 231-431-4
Nikkaji: J307.874D

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 474

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