Methyl 2-(2-phenylacetamido)benzoate
Basic information
- CAS
75541-63-8- Standard SMILES
COC(=O)c1ccccc1NC(=O)Cc1ccccc1- InChIKey
DGQTYMKCRDJXGM-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- Methyl 2-(2-phenylacetamido)benzoate
- IUPAC
- methyl 2-[(2-phenylacetyl)amino]benzoate
- English name
- Benzoic acid,2-[(2-phenylacetyl)amino]-, methyl ester
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
methyl 2-(2-phenylacetamido)benzoate75541-63-8DTXSID80308612RefChem:353812DTXCID60259739668-667-6methyl 2-[(2-phenylacetyl)amino]benzoateMethyl 2-[(phenylacetyl)amino]benzoateOprea1_847482SCHEMBL13936057SCHEMBL31324947DGQTYMKCRDJXGM-UHFFFAOYSA-N
Show more names
Benzoic acid,2-[(2-phenylacetyl)amino]-, methyl ester
methyl2-(2-phenylacetamido)benzoateNSC205447AKOS002983225NSC-205447Methyl 2-[(phenylacetyl)amino]benzoate #CS-0261978EN300-80737G26436
Database identifiers
- CAS
75541-63-8- PubChem CID
- 307343
- DTXSID
DTXSID80308612- EC Number
- 668-667-6
- Nikkaji
- J953.342G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 200 · 200-203 °C(Press: 1 Torr)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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