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1381952-89-1 | 1,8-Naphthyridine-2-acetonitrile, α-[(dimethylamino)methylene]-
CAS No: 1381952-89-1 Catalog No: AG00188P MDL No:
Product Description
Catalog Number:
AG00188P
Chemical Name:
1,8-Naphthyridine-2-acetonitrile, α-[(dimethylamino)methylene]-
CAS Number:
1381952-89-1
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
IUPAC Name:
(Z)-3-(dimethylamino)-2-(1,8-naphthyridin-2-yl)prop-2-enenitrile
InChI:
InChI=1S/C13H12N4/c1-17(2)9-11(8-14)12-6-5-10-4-3-7-15-13(10)16-12/h3-7,9H,1-2H3/b11-9+
InChI Key:
RKQFGPIHXPSFCI-PKNBQFBNSA-N
SMILES:
N#CC(=CN(C)C)c1ccc2c(n1)nccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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