Ethyl N-(2,6-Dimethylphenyl)oxamate - CAS 2903-46-0
Catalog: |
BB066027 |
Product Name: |
Ethyl N-(2,6-Dimethylphenyl)oxamate |
CAS: |
2903-46-0 |
Synonyms: |
ETHYL [(2,6-DIMETHYLPHENYL)CARBAMOYL]FORMATE; ethyl 2-(2,6-dimethylanilino)-2-oxo-acetate; Ethyl 2-((2,6-dimethylphenyl)amino)-2-oxoacetate; ethyl 2-(2,6-dimethylanilino)-2-oxoacetate; Ethyl 2-[(2,6-dimethylphenyl)amino]-2-oxoacetate |
IUPAC Name: | ethyl 2-(2,6-dimethylanilino)-2-oxoacetate |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | CCOC(=O)C(=O)NC1=C(C=CC=C1C)C |
InChI: | InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)13-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3,(H,13,14) |
InChI Key: | XKILREZHHLCALS-UHFFFAOYSA-N |
Solubility: | Chloroform; Methanol |
Appearance: | White Solid |
Storage: | 4°C |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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