Basic information
- CAS
59-07-4- Standard SMILES
CCOc1cc(N)ccc1C(=O)O- InChIKey
FHMHTWLZOLQIFY-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- 2-Ethoxy-4-aminobenzoic acid
- IUPAC
- 4-amino-2-ethoxybenzoic acid
- English name
- Benzoic acid, 4-amino-2-ethoxy-
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
2-Ethoxy-4-aminobenzoic acid59-07-4DTXSID30436414RefChem:260333DTXCID103872384-Amino-2-ethoxybenzoic acidBenzoic acid, 4-amino-2-ethoxy-Mosapride Impurity 264-Amino-2-ethoxybenzoicacidSCHEMBL5789102-ethoxy-4-amino-benzoic acidCHEMBL3278348
Show more names
Mosapride Impurity 23Cinitapride Impurity 13
FHMHTWLZOLQIFY-UHFFFAOYSA-NAKOS013368569DB-426009
Database identifiers
- CAS
59-07-4- PubChem CID
- 10176385
- DTXSID
DTXSID30436414- ChEMBL
CHEMBL3278348- Nikkaji
- J1.574.630K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 371.9 · 371.9±27.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- Melting point
- 150 · 150-151 °C (decomp)
- pka
- 4.87 · 4.87±0.10(Predicted)
Chemistry & industry
Suppliers8 total
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
深圳市恒丰万达医药科技有限公司18126517264 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
Related reactions
12 records
Compound notes
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