4-(N-methylacetamido)benzoic acid
Basic information
- CAS
26961-99-9- Standard SMILES
CC(=O)N(C)c1ccc(C(=O)O)cc1- InChIKey
WPHGIIWEXHFKHI-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 4-(N-methylacetamido)benzoic acid
- IUPAC
- 4-[acetyl(methyl)amino]benzoic acid
- English name
- Benzoic acid,4-(acetylmethylamino)-
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
4-(N-Methylacetamido)benzoic acidRefChem:516506890-955-726961-99-94-[acetyl(methyl)amino]benzoic acidBenzoic acid,4-(acetylmethylamino)-MFCD20542852NSC138296SCHEMBL89538384-(N-Methylacetamido)benzoicacidDTXSID00300673WPHGIIWEXHFKHI-UHFFFAOYSA-N
Show more names
BBA96199AKOS022644294Benzoic acid, 4-(acetylmethylamino)-NSC-1382964-(N-acetyl-N-methylamino)benzoic acid4-(N-acetyl-N-methyl-amino)benzoic acidBS-32201DS-001265
Database identifiers
- CAS
26961-99-9- PubChem CID
- 283471
- DTXSID
DTXSID00300673- EC Number
- 890-955-7
- Nikkaji
- J1.125.037H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
4 records
Compound notes
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