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102249-87-6 | 2(1H)-Isoquinolinecarboxamide, 1-cyano-N,N-dimethyl-
CAS No: 102249-87-6 Catalog No: AG00070I MDL No:
Product Description
Catalog Number:
AG00070I
Chemical Name:
2(1H)-Isoquinolinecarboxamide, 1-cyano-N,N-dimethyl-
CAS Number:
102249-87-6
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
1-cyano-N,N-dimethyl-1H-isoquinoline-2-carboxamide
InChI:
InChI=1S/C13H13N3O/c1-15(2)13(17)16-8-7-10-5-3-4-6-11(10)12(16)9-14/h3-8,12H,1-2H3
InChI Key:
DIHBQISMUSBLTK-UHFFFAOYSA-N
SMILES:
N#CC1N(C=Cc2c1cccc2)C(=O)N(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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