98826-77-8
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[2-CHLORO-3-(2,2-DICYANOETHENYL)-2-CYCLOHEXEN-1-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
NameMETHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[2-CHLORO-3-(2,2-DICYANOETHENYL)-2-CYCLOHEXEN-1-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
FormulaC14 H8 Cl N4 . C4 H12 N
1Identification
【Name】
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[2-CHLORO-3-(2,2-DICYANOETHENYL)-2-CYCLOHEXEN-1-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
【CAS】
【MDL】
MFCD06409713
【English Synonyms】
【Formula】
C14 H8 Cl N4 . C4 H12 N
【MolWeight】
341.844
【Inchi】
InChI=1S/C14H8ClN4.C4H12N/c15-14-12(4-10(6-16)7-17)2-1-3-13(14)5-11(8-18)9-19;1-5(2,3)4/h4-5H,1-3H2;1-4H3/q-1;+1/b12-4+;
【InChIKey】
InChIKey=KWHMDFBBTGILQU-AQCBZIOHSA-N
【SMILES】
C[N+](C)(C)C.C1C/C(=C\[C-](C#N)C#N)/C(=C(C1)C=C(C#N)C#N)Cl
【MOL File】
METHANAMINIUM, N,N,N….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
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[2-CHLORO-3-(2,2-DICYANOETHENYL)-2-CYCLOHEXEN-1-YLIDENE]METHYL]PROPANEDINITRILE (1:1).cml