1-Methyl-3-(2,6-xylyl)urea
Basic information
- CAS
59759-00-1- Standard SMILES
CNC(=O)Nc1c(C)cccc1C- InChIKey
CNLRIEZQTWVNRJ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 1-Methyl-3-(2,6-xylyl)urea
- IUPAC
- 1-(2,6-dimethylphenyl)-3-methylurea
- English name
- 3-(2,6-dimethylphenyl)-1-methyl-urea
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23096
Names & synonyms
1-METHYL-3-(2,6-XYLYL)UREARefChem:434113665-798-059759-00-13-(2,6-dimethylphenyl)-1-methyl-ureaNSC164351SCHEMBL21056124DTXSID90304140AKOS024335869NSC-164351N-(2,6-Dimethylphenyl)-N'-methylurea
Database identifiers
- CAS
59759-00-1- PubChem CID
- 295191
- DTXSID
DTXSID90304140- EC Number
- 665-798-0
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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