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Home > Imidazoles > 113121-70-3
113121-70-3 | Morpholine, 4-(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)-
CAS No: 113121-70-3 Catalog No: AG007RAK MDL No:
Product Description
Catalog Number:
AG007RAK
Chemical Name:
Morpholine, 4-(1,2-dimethyl-4-nitro-1H-imidazol-5-yl)-
CAS Number:
113121-70-3
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
IUPAC Name:
4-(2,3-dimethyl-5-nitroimidazol-4-yl)morpholine
InChI:
InChI=1S/C9H14N4O3/c1-7-10-8(13(14)15)9(11(7)2)12-3-5-16-6-4-12/h3-6H2,1-2H3
InChI Key:
YZPKWPIIJRCZKW-UHFFFAOYSA-N
SMILES:
Cc1nc(c(n1C)N1CCOCC1)[N+](=O)[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:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 1,2-dimethyl-4-nitro-5-morpholinoimidazole and its hydrate: a case of a centrosymmetric-noncentrosymmetric ambiguity. | Acta crystallographica. Section B, Structural science 20030801 |
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