1-(2-Methoxyphenyl)-3-(O-tolyl)urea
Basic information
- CAS
106106-63-2- Standard SMILES
COc1ccccc1NC(=O)Nc1ccccc1C- InChIKey
CCSJUIOPAMLLTN-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)-3-(O-tolyl)urea
- IUPAC
- 1-(2-methoxyphenyl)-3-(2-methylphenyl)urea
- English name
- 1-(2-Methoxyphenyl)-3-(o-tolyl)urea
- Molecular formula
- C15H16N2O2
- Molecular weight
- 256.3
Names & synonyms
1-(2-Methoxyphenyl)-3-(o-tolyl)urea106106-63-2RefChem:422408668-906-4N-(2-methoxyphenyl)-N'-(2-methylphenyl)ureaNSC164446Oprea1_839580CBDivE_000496AKOS001192506NSC-164446Urea, N-(2-methoxyphenyl)-N'-(2-methylphenyl)-
Database identifiers
- CAS
106106-63-2- PubChem CID
- 295285
- EC Number
- 668-906-4
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 313.5 · 313.5±35.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 13.83 · 13.83±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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