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2401-80-1 | Methanimidamide,N'-(6-methoxy-8-quinolinyl)-N,N-dimethyl-
CAS No: 2401-80-1 Catalog No: AG006XML MDL No:
Product Description
Catalog Number:
AG006XML
Chemical Name:
Methanimidamide,N'-(6-methoxy-8-quinolinyl)-N,N-dimethyl-
CAS Number:
2401-80-1
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
IUPAC Name:
N'-(6-methoxyquinolin-8-yl)-N,N-dimethylmethanimidamide
InChI:
InChI=1S/C13H15N3O/c1-16(2)9-15-12-8-11(17-3)7-10-5-4-6-14-13(10)12/h4-9H,1-3H3
InChI Key:
BUXTWLVXBUNDQZ-UHFFFAOYSA-N
SMILES:
COc1cc2cccnc2c(c1)N=CN(C)C
NSC Number:
665668
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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