Cas no 1615-57-2 (1H-Imidazole-2-carboxamide,1-methyl-5-nitro-)
1615-57-2 structure
Product Name:1H-Imidazole-2-carboxamide,1-methyl-5-nitro-
CAS No:1615-57-2
MF:C5H6N4O3
MW:170.126140117645
CID:190979
PubChem ID:3014020
Update Time:2025-04-19
1H-Imidazole-2-carboxamide,1-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-2-carboxamide,1-methyl-5-nitro-
- 1-methyl-5-nitroimidazole-2-carboxamide
- 1-Methyl-5-nitro-1H-imidazole-2-carboxamide
- 1H-Imidazole-2-carboxamide, 1-methyl-5-nitro-
- 1615-57-2
- DTXSID80167160
- SCHEMBL2117211
-
- Inchi： 1S/C5H6N4O3/c1-8-3(9(11)12)2-7-5(8)4(6)10/h2H,1H3,(H2,6,10)
- InChI Key： RXJMREBMXCXGCX-UHFFFAOYSA-N
- SMILES： O=C(C1=NC=C([N+](=O)[O-])N1C)N
Computed Properties
- Exact Mass: 170.04408
- Monoisotopic Mass: 170.04399
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 107
Experimental Properties
- Density: 1.72
- Boiling Point: 426.2°C at 760 mmHg
- Flash Point: 211.5°C
- Refractive Index: 1.704
- PSA: 104.05
1H-Imidazole-2-carboxamide,1-methyl-5-nitro- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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