1-{4-[(2-Cyanoethyl)(ethyl)amino]phenyl}eth-1-ene-1,2,2-tricarbonitrile

HCID 3944015

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Basic information

CAS: 81430-43-5
Standard SMILES: CCN(CCC#N)c1ccc(C(C#N)=C(C#N)C#N)cc1
InChIKey: IJGKINWRCQCUSV-UHFFFAOYSA-N
Molecular formula: C16H13N5
Average molar mass: 275.31 g/mol
Monoisotopic mass: 275.11709544

Names & identifiers

Preferred name: 1-{4-[(2-Cyanoethyl)(ethyl)amino]phenyl}eth-1-ene-1,2,2-tricarbonitrile
IUPAC: 2-[4-[2-cyanoethyl(ethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile

Names & synonyms

Oprea1_319673AKOS0244559471-{4-[(2-CYANOETHYL)(ETHYL)AMINO]PHENYL}ETH-1-ENE-1,2,2-TRICARBONITRILENS00059998p-tricyanovinyl-N-ethyl-N-(beta-cyanoethyl)aniline{4-[(2-cyanoethyl)(ethyl)amino]phenyl}ethene-1,1,2-tricarbonitrile

Database identifiers

CAS: 81430-43-5
PubChem CID: 3944015
Nikkaji: J296.090G

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 568

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