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72042-06-9 | 1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-PHENYLGUANIDINE
CAS No: 72042-06-9 Catalog No: AG005DHF MDL No:
Product Description
Catalog Number:
AG005DHF
Chemical Name:
1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-PHENYLGUANIDINE
CAS Number:
72042-06-9
Molecular Formula:
C21H24N4
Molecular Weight:
332.4421
IUPAC Name:
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-phenylguanidine
InChI:
InChI=1S/C21H24N4/c1-15-14-19(17-12-8-9-13-18(17)22-15)24-20(25-21(2,3)4)23-16-10-6-5-7-11-16/h5-14H,1-4H3,(H2,22,23,24,25)
InChI Key:
DCBOXOCZKNAJAO-UHFFFAOYSA-N
SMILES:
Cc1cc(N=C(NC(C)(C)C)Nc2ccccc2)c2c(n1)cccc2
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.2g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.451g/mol
Monoisotopic Mass:
332.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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