Cas no 1016-40-6 (1H-Imidazole-1-aceticacid, 2-methyl-5-nitro-, ethyl ester)
1016-40-6 structure
Product Name:1H-Imidazole-1-aceticacid, 2-methyl-5-nitro-, ethyl ester
CAS No:1016-40-6
MF:C8H11N3O4
MW:213.190641641617
CID:187387
PubChem ID:13909
Update Time:2025-04-19
1H-Imidazole-1-aceticacid, 2-methyl-5-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-aceticacid, 2-methyl-5-nitro-, ethyl ester
- 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester
- ethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate
- ETHYL 2‐METHYL‐5‐NITRO‐1H‐IMIDAZOLE‐1‐ACETATE
- (2-Methyl-5-nitro-imidazol-1-yl)-acetic acid ethyl ester
- Ethyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate
- E90110
- Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate
- ethyl 2-(2-methyl-5-nitro-1H-imidazole-1-yl)acetate
- ethyl 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetate
- IMIDAZOLE-1-ACETIC ACID, 2-METHYL-5-NITRO-, ETHYL ESTER
- 1016-40-6
- DTXSID10144040
- Ethyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate #
- FT-0760824
- 2-Methyl-5-nitroimidazole-1-acetic acid, ethyl ester
- BRN 0617040
- CKGGIKOPFUMXET-UHFFFAOYSA-N
- 1H-Imidazole-1-acetic acid, 2-methyl-5-nitro-, ethyl ester
- Oprea1_507904
- DA-48368
-
- Inchi： 1S/C8H11N3O4/c1-3-15-8(12)5-10-6(2)9-4-7(10)11(13)14/h4H,3,5H2,1-2H3
- InChI Key： CKGGIKOPFUMXET-UHFFFAOYSA-N
- SMILES： O(CC)C(CN1C(=CN=C1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 213.07503
- Monoisotopic Mass: 213.074956
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 253
- 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: 0.5
- Topological Polar Surface Area: 89.9
Experimental Properties
- Density: 1.36
- Boiling Point: 387.3°C at 760 mmHg
- Flash Point: 188°C
- Refractive Index: 1.573
- PSA: 87.26
- LogP: 1.18600
1H-Imidazole-1-aceticacid, 2-methyl-5-nitro-, ethyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
1016-40-6 (1H-Imidazole-1-aceticacid, 2-methyl-5-nitro-, ethyl ester) Related Products
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- 90102-75-3(Acetic acid, iodo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester)
- 13182-87-1(4-2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy-4-oxobutanoic acid)
- 89128-06-3(1H-Imidazole-1-acetic acid, 2-(hydroxymethyl)-5-nitro-, ethyl ester)
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