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67217-48-5 | 2-CYANO-1-(2-METHYL-4-QUINOLYL)-3-TERT-PENTYLGUANIDINE
CAS No: 67217-48-5 Catalog No: AG005Q3Y MDL No:
Product Description
Catalog Number:
AG005Q3Y
Chemical Name:
2-CYANO-1-(2-METHYL-4-QUINOLYL)-3-TERT-PENTYLGUANIDINE
CAS Number:
67217-48-5
Molecular Formula:
C17H21N5
Molecular Weight:
295.3821
IUPAC Name:
1-cyano-2-(2-methylbutan-2-yl)-3-(2-methylquinolin-4-yl)guanidine
InChI:
InChI=1S/C17H21N5/c1-5-17(3,4)22-16(19-11-18)21-15-10-12(2)20-14-9-7-6-8-13(14)15/h6-10H,5H2,1-4H3,(H2,19,20,21,22)
InChI Key:
HRDNXJXHMMYKHR-UHFFFAOYSA-N
SMILES:
N#CN=C(NC(CC)(C)C)Nc1cc(C)nc2c1cccc2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.18g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.39g/mol
Monoisotopic Mass:
295.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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