Cdap

Catalog	DGS59016567
CAS	59016-56-7
Structure
Synonyms	1-Cyano-4-dimethylaminopyridinium tetrafluoroborate
IUPAC Name	4-(dimethylamino)pyridin-1-ium-1-carbonitrile;tetrafluoroborate
Molecular Weight	234.99
Molecular Formula	C8H10BF4N3
Canonical SMILES	[B-](F)(F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N
InChI	InChI=1S/C8H10N3.BF4/c1-10(2)8-3-5-11(7-9)6-4-8;2-1(3,4)5/h3-6H,1-2H3;/q+1;-1
InChI Key	MBLVMDCQDCVKNE-UHFFFAOYSA-N
Melting Point	196-200 °C
Purity	>98.0%(LC)(N)
Appearance	White to yellow powder
Complexity	179
EC Number	626-423-6
Exact Mass	235.0903901
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	[B-](F)(F)(F)F.CN(C)C1=CC=[N+](C=C1)C#N
MDL Number	MFCD00011998
Monoisotopic Mass	235.0903901
Rotatable Bond Count	1
Storage Conditions	-20 °C
Topological Polar Surface Area	30.9 Ų