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89258-58-2 | Methanimidamide, N-(2-hydroxypropyl)-N'-[4-(1H-imidazol-4-yl)phenyl]-
CAS No: 89258-58-2 Catalog No: AG0087WT MDL No:
Product Description
Catalog Number:
AG0087WT
Chemical Name:
Methanimidamide, N-(2-hydroxypropyl)-N'-[4-(1H-imidazol-4-yl)phenyl]-
CAS Number:
89258-58-2
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
IUPAC Name:
N'-(2-hydroxypropyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
InChI:
InChI=1S/C13H16N4O/c1-10(18)6-14-8-16-12-4-2-11(3-5-12)13-7-15-9-17-13/h2-5,7-10,18H,6H2,1H3,(H,14,16)(H,15,17)
InChI Key:
GRPFIQBIBCFESF-UHFFFAOYSA-N
SMILES:
CC(CNC=Nc1ccc(cc1)c1nc[nH]c1)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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