98826-84-7
1,3,5-HEPTATRIENE-1,1,7,7-TETRACARBONITRILE, ION(1-), N,N,N-TRIMETHYLMETHANAMINIUM
Name1,3,5-HEPTATRIENE-1,1,7,7-TETRACARBONITRILE, ION(1-), N,N,N-TRIMETHYLMETHANAMINIUM
FormulaC11 H5 N4 . C4 H12 N
1Identification
【Name】
1,3,5-HEPTATRIENE-1,1,7,7-TETRACARBONITRILE, ION(1-), N,N,N-TRIMETHYLMETHANAMINIUM
【CAS】
【MDL】
MFCD06409699
【English Synonyms】
【Formula】
C11 H5 N4 . C4 H12 N
【MolWeight】
267.334
【Inchi】
InChI=1S/C11H5N4.C4H12N/c12-6-10(7-13)4-2-1-3-5-11(8-14)9-15;1-5(2,3)4/h1-5H;1-4H3/q-1;+1/b2-1+,5-3+;
【InChIKey】
InChIKey=VBEMMDLOTLHWFP-OVYRSGNUSA-N
【SMILES】
C[N+](C)(C)C.C(=C/C=C(C#N)C#N)\C=C\[C-](C#N)C#N
【MOL File】
1,3,5-HEPTATRIENE-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,5-HEPTATRIENE-1,1,7,7-TETRACARBONITRILE, ION(1-), N,N,N-TRIMETHYLMETHANAMINIUM.cml