2-(Butyrylamino)benzoic acid
Basic information
- CAS
6328-94-5- Standard SMILES
CCCC(=O)Nc1ccccc1C(=O)O- InChIKey
DTHMYEZSBFMJEA-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 2-(Butyrylamino)benzoic acid
- IUPAC
- 2-(butanoylamino)benzoic acid
- English name
- CHEMBRDG-BB 7356177
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
6328-94-52-(butyrylamino)benzoic acid2-(butanoylamino)benzoic acid2-Butyramidobenzoic acid2-butanamidobenzoic acidAnthranilic acid, N-butyryl-Benzoic acid, 2-[(1-oxobutyl)amino]-MFCD00448228NSC440212-ButyramidobenzoicacidBenzoic acid, 2-[ (1-oxobutyl)amino]-Cambridge id 7356177
Show more names
CHEMBRDG-BB 7356177UKRORGSYN-BB BBV-0445262-(1-oxobutylamino)benzoic acid2-(butyrylamino)benzoic acid(SALTDATA: FREE)
SCHEMBL2968441CHEMBL5006028DTXSID80286168ALBB-012012NSC 44021NSC-44021STK096402AKOS000155260
Database identifiers
- CAS
6328-94-5- PubChem CID
- 239184
- DTXSID
DTXSID80286168- ChEMBL
CHEMBL5006028- EC Number
- 809-238-7
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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