Basic information
- Standard SMILES
COC(=O)c1cc(C(=N)N)c(C)cc1C.Cl- InChIKey
VSCDPHYMBOIZFJ-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0822054
Names & identifiers
- Preferred name
- Methyl 5-carbamimidoyl-2,4-dimethylbenzoate hydrochloride
- IUPAC
- methyl 5-carbamimidoyl-2,4-dimethylbenzoate;hydrochloride
Names & synonyms
SCHEMBL12488693SCHEMBL30280879VSCDPHYMBOIZFJ-UHFFFAOYSA-Nmethyl 5-carbamimidoyl-2,4-dimethylbenzoate hydrochloride
Database identifiers
- PubChem CID
- 68288602
Properties
Computed structural properties
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
6 records
Compound notes
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