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Home > Imidazoles > 89258-77-5
89258-77-5 | Methanimidamide, N-butyl-N'-[4-(1H-imidazol-4-yl)-2-methylphenyl]-
CAS No: 89258-77-5 Catalog No: AG0087WR MDL No:
Product Description
Catalog Number:
AG0087WR
Chemical Name:
Methanimidamide, N-butyl-N'-[4-(1H-imidazol-4-yl)-2-methylphenyl]-
CAS Number:
89258-77-5
Molecular Formula:
C15H20N4
Molecular Weight:
256.3461
IUPAC Name:
N'-butyl-N-[4-(1H-imidazol-5-yl)-2-methylphenyl]methanimidamide
InChI:
InChI=1S/C15H20N4/c1-3-4-7-16-10-18-14-6-5-13(8-12(14)2)15-9-17-11-19-15/h5-6,8-11H,3-4,7H2,1-2H3,(H,16,18)(H,17,19)
InChI Key:
LNBNNFXHZZYKFZ-UHFFFAOYSA-N
SMILES:
CCCCNC=Nc1ccc(cc1C)c1c[nH]cn1
Properties
Complexity:
279
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:
6
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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