Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
Basic information
- CAS
7126-99-0- Standard SMILES
CCC(c1ccccc1)n1cncc1C(=O)OC.Cl- InChIKey
NBAVCXTUQICNDF-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O2
- Average molar mass
- 280.75 g/mol
- Monoisotopic mass
- 280.0978555
Names & identifiers
- Preferred name
- Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)
- IUPAC
- methyl 3-(1-phenylpropyl)imidazole-4-carboxylate;hydrochloride
Names & synonyms
7126-99-0DTXSID10991571Methyl 1-(1-phenylpropyl)-1H-imidazole-5-carboxylate--hydrogen chloride (1/1)RefChem:1089241DTXCID501418653DL-1-(alpha-Ethylbenzyl)imidazole-5-carboxylic acid methyl ester hydrochlorideImidazole-5-carboxylic acid, 1-(alpha-ethylbenzyl)-, methyl ester, hydrochloride, DL-
Database identifiers
- CAS
7126-99-0- PubChem CID
- 201922
- DTXSID
DTXSID10991571
Properties
Computed structural properties
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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