Completing data — refresh the page later to see the latest
Basic information
- CAS
76100-28-2- Standard SMILES
CCCCc1nc(C(=O)OC)c(C(=O)OC)[nH]1- InChIKey
XODOWGJPVFJPEU-UHFFFAOYSA-N- Molecular formula
- C11H16N2O4
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.11100699
Names & identifiers
- Preferred name
- Dimethyl 2-butyl-1H-imidazole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-butyl-1H-imidazole-4,5-dicarboxylate
Names & synonyms
Dimethyl 2-butyl-1H-imidazole-4,5-dicarboxylate76100-28-2SCHEMBL7303318DTXSID50566045XODOWGJPVFJPEU-UHFFFAOYSA-Ndimethyl 2-butylimidazole-4,5-dicarboxylateDimethyl 2-butylimidazol-4,5-dicarboxylic acid2-n-butyl-1H-imidazole-4,5-dicarboxylic acid, dimethyl ester
Database identifiers
- CAS
76100-28-2- PubChem CID
- 14955796
- DTXSID
DTXSID50566045
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
9 records
Compound notes
Loading…