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72042-03-6 | 1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)GUANIDINE
CAS No: 72042-03-6 Catalog No: AG005NNB MDL No:
Product Description
Catalog Number:
AG005NNB
Chemical Name:
1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)GUANIDINE
CAS Number:
72042-03-6
Molecular Formula:
C15H20N4
Molecular Weight:
256.3461
IUPAC Name:
2-tert-butyl-1-(2-methylquinolin-4-yl)guanidine
InChI:
InChI=1S/C15H20N4/c1-10-9-13(18-14(16)19-15(2,3)4)11-7-5-6-8-12(11)17-10/h5-9H,1-4H3,(H3,16,17,18,19)
InChI Key:
LQNRXRWZHSDOSV-UHFFFAOYSA-N
SMILES:
NC(=Nc1cc(C)nc2c1cccc2)NC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.353g/mol
Monoisotopic Mass:
256.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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