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Home > Pyridines > 478081-26-4
478081-26-4 | (E)-N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)pyridin-2-yl]methanimidamide
CAS No: 478081-26-4 Catalog No: AG00IR2F MDL No:MFCD01871706
Product Description
Catalog Number:
AG00IR2F
Chemical Name:
(E)-N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)pyridin-2-yl]methanimidamide
CAS Number:
478081-26-4
Molecular Formula:
C18H14N6
Molecular Weight:
314.3440
MDL Number:
MFCD01871706
IUPAC Name:
N,N-dimethyl-N'-[3,4,5-tricyano-6-(4-methylphenyl)pyridin-2-yl]methanimidamide
InChI:
InChI=1S/C18H14N6/c1-12-4-6-13(7-5-12)17-15(9-20)14(8-19)16(10-21)18(23-17)22-11-24(2)3/h4-7,11H,1-3H3/b22-11+
InChI Key:
VNXHCFBYIHEAPR-SSDVNMTOSA-N
SMILES:
N#Cc1c(C#N)c(nc(c1C#N)/N=C/N(C)C)c1ccc(cc1)C
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
314.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.352g/mol
Monoisotopic Mass:
314.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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