Basic information
- CAS
120226-40-6- Standard SMILES
COC(=O)C(NC(=O)C(C)(C)C)c1ccccc1- InChIKey
VEFCLBBOUMFNEI-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- (2,2-Dimethyl-propionylamino)-phenyl-acetic acid methyl ester
- IUPAC
- methyl 2-(2,2-dimethylpropanoylamino)-2-phenylacetate
- English name
- methyl 2-phenyl-2-pivalamidoacetate
- Molecular formula
- C14H19NO3
- Molecular weight
- 249.31
Names & synonyms
120226-40-6(2,2-dimethyl-propionylamino)-phenyl-acetic acid methyl esterRefChem:394421103-043-4Methyl 2-phenyl-2-pivalamidoacetatemethyl 2-(2,2-dimethylpropanamido)-2-phenylacetateAKOS009143048methyl [(2,2-dimethylpropanoyl)amino](phenyl)acetateBenzeneacetic acid, α-[(2,2-dimethyl-1-oxopropyl)amino]-, methyl ester
Database identifiers
- CAS
120226-40-6- PubChem CID
- 5082289
- EC Number
- 103-043-4
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 391.6 · 391.6±30.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 14.23 · 14.23±0.46(Predicted)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
MolMall Sarl[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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