(4-Acetylanilino)acetic acid
Basic information
- CAS
42288-24-4- Standard SMILES
CC(=O)c1ccc(NCC(=O)O)cc1- InChIKey
AEXFITBEFOTRCS-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- (4-Acetylanilino)acetic acid
- IUPAC
- 2-(4-acetylanilino)acetic acid
- English name
- Glycine, N-(4-acetylphenyl)-
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
(4-Acetylanilino)acetic acidRefChem:402363662-904-72-(4-acetylanilino)acetic acid42288-24-42-((4-Acetylphenyl)amino)acetic acidGlycine, N-(4-acetylphenyl)-N-(4-Acetylphenyl)glycineN-(4-acetyl-phenyl)glycineSCHEMBL8637256(4-Acetylanilino)acetic acid #DTXSID40343584
Show more names
4-Carboxymethylamino-acetophenon
AKOS0226442882-Aminoacetic acid, N-[4-acetylphenyl]-
Database identifiers
- CAS
42288-24-4- PubChem CID
- 590691
- DTXSID
DTXSID40343584- EC Number
- 662-904-7
- Nikkaji
- J759.802E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 218 · 218-220 °C
- Boiling point
- 440.7 · 440.7±30.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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 39 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 statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
1 records
Compound notes
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