Ethyl 4-carbamimidoylbenzoate
Basic information
- CAS
15676-12-7- Standard SMILES
CCOC(=O)c1ccc(C(=N)N)cc1- InChIKey
SEBINEYTXBJXOB-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Names & identifiers
- Preferred name
- Ethyl 4-carbamimidoylbenzoate
- IUPAC
- ethyl 4-carbamimidoylbenzoate
Names & synonyms
ethyl 4-carbamimidoylbenzoate15676-12-7DTXSID00274709RefChem:343875DTXCID30226170p-carbethoxy-benzamidineSCHEMBL429412
Database identifiers
- CAS
15676-12-7- PubChem CID
- 21529
- DTXSID
DTXSID00274709- Nikkaji
- J900.534J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…