Methyl 2,3-diamino-5-methoxybenzoate
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Basic information
- CAS
569668-24-2- Standard SMILES
COC(=O)c1cc(OC)cc(N)c1N- InChIKey
KAKVEOYMVUHZSJ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
Names & identifiers
- Preferred name
- Methyl 2,3-diamino-5-methoxybenzoate
- IUPAC
- methyl 2,3-diamino-5-methoxybenzoate
- English name
- Benzoic acid, 2,3-diamino-5-methoxy-, methyl ester (9CI)
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
Methyl 2,3-diamino-5-methoxybenzoate569668-24-22,3-Diamino-5-methoxy-benzoic acid methyl esterSCHEMBL505813KAKVEOYMVUHZSJ-UHFFFAOYSA-NMFCD18973992Methyl 2,3-Diamino-5-methoxy-benzoateDB-297815G10863Benzoic acid, 2,3-diamino-5-methoxy-, methyl esterBenzoic acid, 2,3-diamino-5-methoxy-, methyl ester (9CI)
Database identifiers
- CAS
569668-24-2
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 373 · 373.0±37.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- pka
- 2.59 · 2.59±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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