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69382-19-0 | Imidazole, 1-methyl-5-(4-methylpiperidinoiminomethyl)-2-nitro-
CAS No: 69382-19-0 Catalog No: AG005MTZ MDL No:
Product Description
Catalog Number:
AG005MTZ
Chemical Name:
Imidazole, 1-methyl-5-(4-methylpiperidinoiminomethyl)-2-nitro-
CAS Number:
69382-19-0
Molecular Formula:
C11H17N5O2
Molecular Weight:
251.2850
IUPAC Name:
1-(3-methyl-2-nitroimidazol-4-yl)-N-(4-methylpiperidin-1-yl)methanimine
InChI:
InChI=1S/C11H17N5O2/c1-9-3-5-15(6-4-9)13-8-10-7-12-11(14(10)2)16(17)18/h7-9H,3-6H2,1-2H3
InChI Key:
NYECJXUKWWHAKN-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)N=Cc1cnc(n1C)[N+](=O)[O-]
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.29g/mol
Monoisotopic Mass:
251.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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