4-(Butyrylamino)benzoic acid
Basic information
- CAS
99855-49-9- Standard SMILES
CCCC(=O)Nc1ccc(C(=O)O)cc1- InChIKey
MUILCOCVGKGNRN-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 4-(Butyrylamino)benzoic acid
- IUPAC
- 4-(butanoylamino)benzoic acid
- English name
- CHEMBRDG-BB 9071855
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
4-(BUTYRYLAMINO)BENZOIC ACID99855-49-94-(butanoylamino)benzoic acid4-Butyramidobenzoic acid4-butanamidobenzoic acidMFCD00448229Benzoic acid, 4-[(1-oxobutyl)amino]-4-ButyramidobenzoicacidSCHEMBL265614DTXSID00406482ALBB-012931BBL007175
Show more names
CHEMBRDG-BB 9071855UKRORGSYN-BB BBV-0488194-(1-oxobutylamino)benzoic acid4-(butyrylamino)benzoic acid(SALTDATA: FREE)
STK401397AKOS000104616VS-01653CS-0313765ST50679784H30172F070170
Database identifiers
- CAS
99855-49-9- PubChem CID
- 4777971
- DTXSID
DTXSID00406482- Nikkaji
- J3.646.604I
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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