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89539-83-3 | 3-Pyridinecarbonitrile, 2-[[2-(dimethylamino)ethyl]amino]-4,6-dimethyl-
CAS No: 89539-83-3 Catalog No: AG0040JM MDL No:
Product Description
Catalog Number:
AG0040JM
Chemical Name:
3-Pyridinecarbonitrile, 2-[[2-(dimethylamino)ethyl]amino]-4,6-dimethyl-
CAS Number:
89539-83-3
Molecular Formula:
C12H18N4
Molecular Weight:
218.2981
IUPAC Name:
2-[2-(dimethylamino)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H18N4/c1-9-7-10(2)15-12(11(9)8-13)14-5-6-16(3)4/h7H,5-6H2,1-4H3,(H,14,15)
InChI Key:
WGPFSMWGUKEIRZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(nc1NCCN(C)C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.304g/mol
Monoisotopic Mass:
218.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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