Basic information
- CAS
103091-51-6- Standard SMILES
CS(=O)(=O)O.Cc1[nH]c(-c2ccccc2)nc1CC#N- InChIKey
JHJUWPIKMRPGFU-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3S
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.08341252
Names & identifiers
- Preferred name
- 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate
- IUPAC
- methanesulfonic acid;2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile
Names & synonyms
103091-51-61H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate2-(4-Methyl-2-phenyl-1H-imidazol-5-yl)acetonitrile methanesulfonateDTXSID50145637Methanesulfonic acid--(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile (1/1)
Database identifiers
- CAS
103091-51-6- PubChem CID
- 190482
- DTXSID
DTXSID50145637
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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