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72042-07-0 | N-CYCLOHEXYL-N'-(2-METHYL-4-QUINOLINYL)GUANIDINE
CAS No: 72042-07-0 Catalog No: AG005ZXL MDL No:
Product Description
Catalog Number:
AG005ZXL
Chemical Name:
N-CYCLOHEXYL-N'-(2-METHYL-4-QUINOLINYL)GUANIDINE
CAS Number:
72042-07-0
Molecular Formula:
C17H22N4
Molecular Weight:
282.3834
IUPAC Name:
2-cyclohexyl-1-(2-methylquinolin-4-yl)guanidine
InChI:
InChI=1S/C17H22N4/c1-12-11-16(14-9-5-6-10-15(14)19-12)21-17(18)20-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H3,18,19,20,21)
InChI Key:
FVFCSQUOANFPNP-UHFFFAOYSA-N
SMILES:
N=C(Nc1cc(C)nc2c1cccc2)NC1CCCCC1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.391g/mol
Monoisotopic Mass:
282.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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