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71079-56-6 | 1-CYCLOPROPYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE DINITRATE
CAS No: 71079-56-6 Catalog No: AG005EB7 MDL No:
Product Description
Catalog Number:
AG005EB7
Chemical Name:
1-CYCLOPROPYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE DINITRATE
CAS Number:
71079-56-6
Molecular Formula:
C17H19N7O6S
Molecular Weight:
449.4411
IUPAC Name:
cyclopropyl-[N-(2-methylquinolin-4-yl)-C-(1,3-thiazol-2-ylazaniumyl)carbonimidoyl]azanium;dinitrate
InChI:
InChI=1S/C17H17N5S.2NO3/c1-11-10-15(13-4-2-3-5-14(13)19-11)21-16(20-12-6-7-12)22-17-18-8-9-23-17;2*2-1(3)4/h2-5,8-10,12H,6-7H2,1H3,(H2,18,19,20,21,22);;/q;2*-1/p+2
InChI Key:
RGEXPZAMHBJKCW-UHFFFAOYSA-P
SMILES:
Cc1cc(N=C(Nc2nccs2)NC2CC2)c2c(n1)cccc2.[O-][N+](=O)O.[O-][N+](=O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.112g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
449.442g/mol
Monoisotopic Mass:
449.112g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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