Nitric acid--ethyl 2-methyl-1-(1-phenylethyl)-1H-imidazole-5-carboxylate (1/1)
Basic information
- CAS
36363-26-5- Standard SMILES
CCOC(=O)c1cnc(C)n1C(C)c1ccccc1.O=[N+]([O-])O- InChIKey
OCRZZEHGAYSYSO-UHFFFAOYSA-N- Molecular formula
- C15H19N3O5
- Average molar mass
- 321.33 g/mol
- Monoisotopic mass
- 321.13247072
Names & identifiers
- Preferred name
- Nitric acid--ethyl 2-methyl-1-(1-phenylethyl)-1H-imidazole-5-carboxylate (1/1)
- IUPAC
- ethyl 2-methyl-3-(1-phenylethyl)imidazole-4-carboxylate;nitric acid
Names & synonyms
36363-26-5DTXSID90957695Nitric acid--ethyl 2-methyl-1-(1-phenylethyl)-1H-imidazole-5-carboxylate (1/1)RefChem:1092447DTXCID501385626DL-1-(alpha-Methylbenzyl)-2-methylimidazole-5-carboxylic acid ethyl ester nitrate(+-)-2-Methyl-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester mononitrate1H-Imidazole-5-carboxylic acid, 2-methyl-1-(1-phenylethyl)-, ethyl ester, mononitrate, (+-)-
Database identifiers
- CAS
36363-26-5- PubChem CID
- 215813
- DTXSID
DTXSID90957695
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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