Carbamic acid, 2,4-dimethylphenyl, ethyl ester
Basic information
- CAS
35601-95-7- Standard SMILES
CCOC(=O)Nc1ccc(C)cc1C- InChIKey
DCVORZHXEUBUSJ-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Carbamic acid, 2,4-dimethylphenyl, ethyl ester
- IUPAC
- ethyl N-(2,4-dimethylphenyl)carbamate
- English name
- Ethyl N-(2,4-xylyl)carbamate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
35601-95-7Carbamic acid, 2,4-dimethylphenyl, ethyl esterDTXSID30335938RefChem:332264DTXCID10287027MLS000570321SMR000150340ethyl N-(2,4-dimethylphenyl)carbamateHMS1410I16Enamine_005824cid_528084CHEMBL1348658
Show more names
Ethyl N-(2,4-xylyl)carbamateCarbamic acid, (2,4-dimethylphenyl)-, ethyl ester (9CI)
SCHEMBL12407193BDBM55452ethyl 2,4-dimethylphenylcarbamateDCVORZHXEUBUSJ-UHFFFAOYSA-NHMS2338C18Ethyl (2,4-dimethylphenyl)carbamateAKOS002969194ethyl 2,4-dimethylphenylcarbamate (en)
Database identifiers
- CAS
35601-95-7- PubChem CID
- 528084
- DTXSID
DTXSID30335938- ChEMBL
CHEMBL1348658
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 63 °C · 63 °C
- Boiling point
- 242.3 · 242.3±29.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- 13.88 · 13.88±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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