Basic information
- Standard SMILES
COC(=O)c1ccc(N)c(N)c1.Cl.Cl- InChIKey
ULSKIUHUELQDBP-UHFFFAOYSA-N- Molecular formula
- C8H12Cl2N2O2
- Average molar mass
- 239.1 g/mol
Names & identifiers
- Preferred name
- Methyl 3,4-diaminobenzoate dihydrochloride
- IUPAC
- methyl 3,4-diaminobenzoate;dihydrochloride
Names & synonyms
Methyl 3,4-diaminobenzoate dihydrochlorideSCHEMBL1223871ULSKIUHUELQDBP-UHFFFAOYSA-N3,4-diaminobenzoic acid methyl ester dihydrochloride
Database identifiers
- PubChem CID
- 18174510
Properties
Computed structural properties
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Related reactions
8 records
Compound notes
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