Octyl 5-amino-3H-imidazole-4-carboxylate
Basic information
- CAS
36137-90-3- Standard SMILES
CCCCCCCCOC(=O)c1[nH]cnc1N- InChIKey
OLXKKJGOUXZRIA-UHFFFAOYSA-N- Molecular formula
- C12H21N3O2
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.16337692
Names & identifiers
- Preferred name
- Octyl 5-amino-3H-imidazole-4-carboxylate
- IUPAC
- octyl 4-amino-1H-imidazole-5-carboxylate
Names & synonyms
36137-90-3OCTYL 5-AMINO-3H-IMIDAZOLE-4-CARBOXYLATEoctyl 4-amino-1H-imidazole-5-carboxylateDTXSID60329183
Database identifiers
- CAS
36137-90-3- PubChem CID
- 418102
- DTXSID
DTXSID60329183
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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