Methyl 3-amino-4-ethoxybenzoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
927802-54-8- Standard SMILES
CCOc1ccc(C(=O)OC)cc1N- InChIKey
YZNOKVXAKUGUQB-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- Methyl 3-amino-4-ethoxybenzoate
- IUPAC
- methyl 3-amino-4-ethoxybenzoate
- English name
- Methyl 3-amino-4-ethoxybenzoate
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
METHYL 3-AMINO-4-ETHOXYBENZOATE927802-54-8SCHEMBL25337733methyl 3-amino-4-ethoxy-benzoateAKOS000297693METHYL3-AMINO-4-ETHOXYBENZOATECS-0312393Neratinib Impurity 313-Amino-4-ethoxy-benzoic acid methyl esterBenzoic acid, 3-amino-4-ethoxy-, methyl ester
Database identifiers
- CAS
927802-54-8- PubChem CID
- 28689876
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Applications
UsesMethyl Ester 3-Amino-4-ethoxybenzoic Acid was used in the study of structure-based design and synthesis of inhibitors targeting HDAC8. It was also used for preparation of Neratinib (N390090), which is an antitumor agent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…