Basic information
- CAS
13230-22-3- Standard SMILES
CCOC(=O)Cn1cc([N+](=O)[O-])nc1C- InChIKey
XMPREPGUGSKZIE-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.07495584
Names & identifiers
- Preferred name
- Ethyl 2-methyl-4-nitro-1H-imidazole-1-acetate
- IUPAC
- ethyl 2-(2-methyl-4-nitroimidazol-1-yl)acetate
- English name
- ethyl 2-(2-methyl-4-nitro-imidazol-1-yl)acetate
- Molecular formula
- C8H11N3O4
- Molecular weight
- 213.19
Names & synonyms
13230-22-3IMIDAZOLE-1-ACETIC ACID, 2-METHYL-4-NITRO-, ETHYL ESTERDTXSID90157471RefChem:1084812DTXCID6079962Ethyl 2-methyl-4-nitro-1H-imidazole-1-acetateethyl 2-(2-methyl-4-nitro-1h-imidazol-1-yl)acetateethyl 2-(2-methyl-4-nitroimidazol-1-yl)acetateethyl 2-(2-methyl-4-nitro-imidazol-1-yl)acetate(2-Methyl-4-nitro-imidazol-1-yl)-acetic acid ethyl esterMFCD00579748Ethyl (2-methyl-4-nitro-1H-imidazol-1-yl)acetate
Show more names
1-(Carbethoxymethyl)-2-methyl-4-nitroimidazole2-Methyl-4-nitroimidazole-1-acetic acid ethyl ester2-Methyl-4-nitro-1H-imidazole-1-acetic acid ethyl ester
2-Methyl-4-nitroimidazole-1-acetic acid, ethyl esterBRN 0617038ethyl 2-(2-methyl-4-nitroimidazolyl)acetateOprea1_343509XMPREPGUGSKZIE-UHFFFAOYSA-XMPREPGUGSKZIE-UHFFFAOYSA-N1H-Imidazole-1-acetic acid, 2-methyl-4-nitro-, ethyl esterSBB009602
Database identifiers
- CAS
13230-22-3
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 112 °C · 112 °C
- Boiling point
- 387.3 · 387.3±22.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 0.54 · 0.54±0.60(Predicted)
Chemistry & industry
Suppliers2 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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