Trimeturon
Basic information
- CAS
3050-27-9- Standard SMILES
COC(=Nc1ccc(Cl)cc1)N(C)C- InChIKey
MYURAHUSYDVWQA-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2O
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0716407
Names & identifiers
- Preferred name
- Trimeturon
- IUPAC
- methyl N'-(4-chlorophenyl)-N,N-dimethylcarbamimidate
- English name
- 1-(PARA-CHLOROPHENYL)-2,3,3-TRIMETHYLPSEUDOUREA
- Molecular formula
- C10H13ClN2O
- Molecular weight
- 212.68
Names & synonyms
Trimeturon3050-27-9Trimeturon [BSI]Bayer 40557methyl N'-(4-chlorophenyl)-N,N-dimethylcarbamimidateN'-4-Chlorophenyl-O,N,N-trimethylisoureaUNII-F311WL417DBRN 2724151B-40557F311WL417DN-(p-Chlorophenyl)-O,N',N'-trimethylisourea1-(p-Chlorophenyl)-2,3,3-trimethylpseudourea
Show more names
Bayer-405573-(p-Chlorophenyl)-1,1,2-trimethylisourea3-(4-Chlorophenyl)-1,1,2-trimethylisourea1-(PARA-CHLOROPHENYL)-2,3,3-TRIMETHYLPSEUDOUREA
Pseudourea, 1-(p-chlorophenyl)-2,3,3-trimethyl-N-(p-Chlorophenyl)-N',N'-dimethyl-O-methylisoureaDTXSID1042497Carbamimidic acid, N'-(4-chlorophenyl)-N,N-dimethyl-, methyl ester(EZ)-3-(4-CHLOROPHENYL)-1,1,2-TRIMETHYLISOUREARefChem:191827DTXCID9022497SCHEMBL134870
Database identifiers
- CAS
3050-27-9- PubChem CID
- 76450
- DTXSID
DTXSID90859786- UNII
- F311WL417D
- Nikkaji
- J7.670H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 147.5 °C · 147.5°C
- Boiling point
- 155 · 155-160 °C(Press: 14 Torr)
- Density
- 1.2426 · 1.2426 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 7.3 · 7.30±0.50(Predicted)
- Water Solubility
- 699.5 mg/L · 699.5mg/L(temperature not stated)
- FDA UNII
- 311 WL417D · F311WL417D
- EPA Substance Registry System
- Trimeturon (3050-27-9)
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