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89258-56-0 | Methanimidamide, N-[4-(1H-imidazol-4-yl)phenyl]-N'-(2-methoxyethyl)-
CAS No: 89258-56-0 Catalog No: AG0042IG MDL No:
Product Description
Catalog Number:
AG0042IG
Chemical Name:
Methanimidamide, N-[4-(1H-imidazol-4-yl)phenyl]-N'-(2-methoxyethyl)-
CAS Number:
89258-56-0
Molecular Formula:
C13H16N4O
Molecular Weight:
244.2923
IUPAC Name:
N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methoxyethyl)methanimidamide
InChI:
InChI=1S/C13H16N4O/c1-18-7-6-14-9-16-12-4-2-11(3-5-12)13-8-15-10-17-13/h2-5,8-10H,6-7H2,1H3,(H,14,16)(H,15,17)
InChI Key:
HQQGCGAVRKAALV-UHFFFAOYSA-N
SMILES:
COCCN=CNc1ccc(cc1)c1nc[nH]c1
Properties
Complexity:
251
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:
2
Isotope Atom Count:
0
Molecular Weight:
244.298g/mol
Monoisotopic Mass:
244.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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