98826-83-6
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[5-(2,2-DICYANOETHENYL)-2H-PYRAN-3(6H)-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
NameMETHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[5-(2,2-DICYANOETHENYL)-2H-PYRAN-3(6H)-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
pro_formulaC13 H7 N4 O . C4 H12 N
1Identification
【Name】
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[5-(2,2-DICYANOETHENYL)-2H-PYRAN-3(6H)-YLIDENE]METHYL]PROPANEDINITRILE (1:1)
【CAS】
【MDL】
MFCD06409700
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H7 N4 O . C4 H12 N
【pro_molWeight】
309.371
【Inchi】
InChI=1S/C13H7N4O.C4H12N/c14-4-12(5-15)2-10-1-11(9-18-8-10)3-13(6-16)7-17;1-5(2,3)4/h1-3H,8-9H2;1-4H3/q-1;+1/b10-2-;
【InChIKey】
InChIKey=LMWHJXMWIFZWPA-HAYVPLDLSA-N
【SMILES】
C[N+](C)(C)C.C1C(=C/C(=C/[C-](C#N)C#N)/CO1)C=C(C#N)C#N
【MOL File】
METHANAMINIUM, N,N,N….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
METHANAMINIUM, N,N,N-TRIMETHYL-, SALT WITH [[5-(2,2-DICYANOETHENYL)-2H-PYRAN-3(6H)-YLIDENE]METHYL]PROPANEDINITRILE (1:1).cml