Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate
Basic information
- CAS
1016-40-6- Standard SMILES
CCOC(=O)Cn1c([N+](=O)[O-])cnc1C- InChIKey
CKGGIKOPFUMXET-UHFFFAOYSA-N- Molecular formula
- C8H11N3O4
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.07495584
Names & identifiers
- Preferred name
- Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetate
- IUPAC
- ethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate
- English name
- 2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl ester
- Molecular formula
- C8H11N3O4
- Molecular weight
- 213.19
Names & synonyms
1016-40-6IMIDAZOLE-1-ACETIC ACID, 2-METHYL-5-NITRO-, ETHYL ESTERDTXSID10144040RefChem:1084814DTXCID0066531Ethyl 2-methyl-5-nitro-1H-imidazole-1-acetateethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate2-Methyl-5-nitro-1H-imidazole-1-acetic acid ethyl esterethyl 2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetate2-Methyl-5-nitroimidazole-1-acetic acid, ethyl esterEthyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetateBRN 0617040
Show more names
E90110Metronidazole Impurity 11Metronidazole Impurity 40Metronidazole EP Impurity Jethyl 2-(2-methyl-5-nitro-1H-imidazole-1-yl)acetate
Oprea1_507904orb2279923CKGGIKOPFUMXET-UHFFFAOYSA-N1H-Imidazole-1-acetic acid, 2-methyl-5-nitro-, ethyl esterDA-48368Ethyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate #
Database identifiers
- CAS
1016-40-6- PubChem CID
- 13909
- DTXSID
DTXSID10144040- Nikkaji
- J49.311B
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
- 71 °C · 71 °C
- Boiling point
- 387.3 · 387.3±22.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 2.06 · 2.06±0.34(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…