Basic information
- CAS
609798-47-2- Standard SMILES
CCOC(=O)C(=O)Nc1c(C(C)C)cccc1C(C)C- InChIKey
NNIXZEGJEDREFU-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Names & identifiers
- Preferred name
- Ethyl (2,6-diisopropylanilino)(oxo)acetate
- IUPAC
- ethyl 2-[2,6-di(propan-2-yl)anilino]-2-oxoacetate
- English name
- Acetic acid, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-2-oxo-, ethyl ester
- Molecular formula
- C16H23NO3
- Molecular weight
- 277.36
Names & synonyms
609798-47-2Ethyl (2,6-diisopropylanilino)(oxo)acetateNSC623054Acetic acid, [[2,6-bis(1-methylethyl)phenyl]amino]oxo-, ethyl esterCHEMBL1967805DTXSID70326946AKOS024326830NSC-623054NCI60_006850H82034ethyl 2-(2,6-diisopropylanilino)-2-oxo-acetateEthyl [2,6-di(propan-2-yl)anilino](oxo)acetate
Show more names
(2,6-diisopropylphenyl) Amino ] carbonyl acetic acid ethyl esterAcetic acid, 2-[[2,6-bis(1-methylethyl)phenyl]amino]-2-oxo-, ethyl ester
2-((2,6-diisopropylphenyl)amino)-2-oxoacetic acid ethyl ester
Database identifiers
- CAS
609798-47-2- PubChem CID
- 360718
- DTXSID
DTXSID70326946- ChEMBL
CHEMBL1967805- Nikkaji
- J1.939.259G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 131 · 131-133 °C
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.70(Predicted)
Chemistry & industry
Suppliers5 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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