Basic information
- CAS
51977-16-3- Standard SMILES
CCOC(=O)Nc1c(C)cc(C)cc1C- InChIKey
WYIPHACQNKZRMS-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Ethyl mesitylcarbamate
- IUPAC
- ethyl N-(2,4,6-trimethylphenyl)carbamate
- English name
- Ethyl N-mesitylcarbamate
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
51977-16-3ethyl mesitylcarbamateethyl N-mesitylcarbamateNSC131738SCHEMBL26588963DTXSID70299646AKOS002952205NSC-131738Ethyl (2,4,6-trimethylphenyl)carbamateN-(2,4,6-trimethyl-phenyl)-carbamic acid ethyl esterMethyl 2-amino-4-(tert-butyl)benzoateCarbamic acid, N-(2,4,6-trimethylphenyl)-, ethyl ester
Database identifiers
- CAS
51977-16-3- PubChem CID
- 280265
- DTXSID
DTXSID70299646- Nikkaji
- J756.038I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 89 · 89-90 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 255.5 · 255.5±39.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.70(Predicted)
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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