98826-75-6
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[3-(2,2-DICYANOETHENYL)-2-PHENYL-2-CYCLOHEXEN-1-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
Name
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[3-(2,2-DICYANOETHENYL)-2-PHENYL-2-CYCLOHEXEN-1-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
pro_formula
C20 H13 N4 . C4 H12 N
pro_molWeight
383.496
1Identification
【Name】
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[3-(2,2-DICYANOETHENYL)-2-PHENYL-2-CYCLOHEXEN-1-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
【CAS】
【MDL】
MFCD06409712
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H13 N4 . C4 H12 N
【pro_molWeight】
383.496
【Inchi】
InChI=1S/C20H13N4.C4H12N/c21-11-15(12-22)9-18-7-4-8-19(10-16(13-23)14-24)20(18)17-5-2-1-3-6-17;1-5(2,3)4/h1-3,5-6,9-10H,4,7-8H2;1-4H3/q-1;+1/b18-9+;
【InChIKey】
InChIKey=OEGQOEYNJSLUNZ-WUBZALIBSA-N
【SMILES】
C[N+](C)(C)C.c1ccc(cc1)C\2=C(CCC/C2=C\[C-](C#N)C#N)C=C(C#N)C#N
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F