Methyl 3-amino-4-(cyclopropylamino)benzoate
Basic information
- CAS
848819-84-1- Standard SMILES
COC(=O)c1ccc(NC2CC2)c(N)c1- InChIKey
NDUMYKHASAAPMO-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- Methyl 3-amino-4-(cyclopropylamino)benzoate
- IUPAC
- methyl 3-amino-4-(cyclopropylamino)benzoate
- English name
- Methyl 3-aMino-4-(cyclopropylaMino)benzoate
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24
Names & synonyms
Methyl 3-amino-4-(cyclopropylamino)benzoate848819-84-1Methyl3-amino-4-(cyclopropylamino)benzoateSCHEMBL23971034DTXSID10734182MFCD08448266AKOS010565554SB77450BS-24116DB-360922F236487Benzoic acid, 3-amino-4-(cyclopropylamino)-, methyl ester
Database identifiers
- CAS
848819-84-1- PubChem CID
- 61311525
- DTXSID
DTXSID10734182- EC Number
- 191-670-4
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 108 · 108-110 °C
- Boiling point
- 388.6 · 388.6±32.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.73 · 4.73±0.11(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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