2-Amino-4,5-diethoxybenzoic acid
Basic information
- CAS
20197-72-2- Standard SMILES
CCOc1cc(N)c(C(=O)O)cc1OCC- InChIKey
KXEWHLXSXBEBMU-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- 2-Amino-4,5-diethoxybenzoic acid
- IUPAC
- 2-amino-4,5-diethoxybenzoic acid
- English name
- 6-Amino-3,4-diethoxybenzoic acid
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
2-amino-4,5-diethoxybenzoic acid20197-72-2DTXSID80406268RefChem:463992DTXCID80357120995-428-6Benzoic acid, 2-amino-4,5-diethoxy-6-AMINO-3,4-DIETHOXYBENZOIC ACIDMFCD041179932-amino-4,5-diethoxy-benzoic AcidAnthranilic acid, 4,5-diethoxy- (6CI,8CI)4,5-Diethoxyanthranilic Acid
Show more names
CHEMBL4993568SCHEMBL108011822-amino-4,5-diethoxybenzoicacid3,4-Diethoxy-6-aminobenzoic acidCS-B00752-Amino-4,5-diethoxy benzoic acidAKOS001160731SB80006
Database identifiers
- CAS
20197-72-2- PubChem CID
- 4739151
- DTXSID
DTXSID80406268- ChEMBL
CHEMBL4993568- EC Number
- 995-428-6
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 135 · 135-136℃ (decomposition) (ethanol )
- Boiling point
- 379.8 · 379.8±42.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.39 · 2.39±0.10(Predicted)
- Appearance
- White to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…