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72042-04-7 | 1-TERT-BUTYL-3-(2-HYDROXYETHYL)-2-(2-METHYL-4-QUINOLYL)GUANIDINE
CAS No: 72042-04-7 Catalog No: AG005NNA MDL No:
Product Description
Catalog Number:
AG005NNA
Chemical Name:
1-TERT-BUTYL-3-(2-HYDROXYETHYL)-2-(2-METHYL-4-QUINOLYL)GUANIDINE
CAS Number:
72042-04-7
Molecular Formula:
C17H24N4O
Molecular Weight:
300.3987
IUPAC Name:
1-tert-butyl-2-(2-hydroxyethyl)-3-(2-methylquinolin-4-yl)guanidine
InChI:
InChI=1S/C17H24N4O/c1-12-11-15(13-7-5-6-8-14(13)19-12)20-16(18-9-10-22)21-17(2,3)4/h5-8,11,22H,9-10H2,1-4H3,(H2,18,19,20,21)
InChI Key:
UNQUVONLVUVHLK-UHFFFAOYSA-N
SMILES:
OCCNC(=Nc1cc(C)nc2c1cccc2)NC(C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.195g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.406g/mol
Monoisotopic Mass:
300.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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