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Home > Imidazoles > 140448-34-6
140448-34-6 | 1H-Imidazole-1-butanamide, N-methoxy-2-nitro-
CAS No: 140448-34-6 Catalog No: AG001CG3 MDL No:
Product Description
Catalog Number:
AG001CG3
Chemical Name:
1H-Imidazole-1-butanamide, N-methoxy-2-nitro-
CAS Number:
140448-34-6
Molecular Formula:
C8H12N4O4
Molecular Weight:
228.2053
IUPAC Name:
N-methoxy-4-(2-nitroimidazol-1-yl)butanamide
InChI:
InChI=1S/C8H12N4O4/c1-16-10-7(13)3-2-5-11-6-4-9-8(11)12(14)15/h4,6H,2-3,5H2,1H3,(H,10,13)
InChI Key:
CNCJKXXSGCVHLP-UHFFFAOYSA-N
SMILES:
CONC(=O)CCCn1ccnc1[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.208g/mol
Monoisotopic Mass:
228.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Comparison of hypoxic cell radiosensitizers, KIN-804, KIN-844, KIN-806 and TX-1877, on brain and liver metabolizing capacities in mice bearing Ehrlich ascites carcinoma. | Biological & pharmaceutical bulletin 20020501 |
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