Anthranilic acid, N-(3-methoxyphenyl)-
Basic information
- CAS
27693-73-8- Standard SMILES
COc1cccc(Nc2ccccc2C(=O)O)c1- InChIKey
SSRGDXQQJKAWKX-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- Anthranilic acid, N-(3-methoxyphenyl)-
- IUPAC
- 2-(3-methoxyanilino)benzoic acid
- English name
- 2-((3-methoxyphenyl)amino)benzoic acid
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.25792
Names & synonyms
2-[(3-methoxyphenyl)amino]benzoic acid27693-73-8Anthranilic acid, N-(3-methoxyphenyl)-N-m-Anisylanthranilic acidN-(3-Methoxyphenyl)anthranilic acidAnthranilic acid, N-m-anisyl-BRN 21231782-((3-methoxyphenyl)amino)benzoic acidDTXSID401820564-14-00-01027 (Beilstein Handbook Reference)RefChem:558235DTXCID50104547
Show more names
2-[(3-methoxyphenyl)amino]benzenemacetic acid
813-421-72-(3-Methoxyanilino)benzoic acidBenzoic acid, 2-[(3-methoxyphenyl)amino]-MFCD01675236CHEMBL1328677Oprea1_613102Oprea1_617826MLS000715316
Database identifiers
- CAS
27693-73-8- PubChem CID
- 119702
- DTXSID
DTXSID40182056- ChEMBL
CHEMBL1328677- EC Number
- 813-421-7
- Nikkaji
- J55.255K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Experimental & physicochemical properties
LogP4.31
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Toxicity
- 50 · mouse,LD50,intravenous,170mg/kg (170mg/kg),Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1392, 1969.
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Toxicity
- mouse,LD50,intravenous,170mg/kg (170mg/kg),Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1392, 1969.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Suppliers
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Related reactions
1 records
Compound notes
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