1-Benzyl-3-(2,4-xylyl)urea
Basic information
- CAS
122020-38-6- Standard SMILES
Cc1ccc(NC(=O)NCc2ccccc2)c(C)c1- InChIKey
NIVTZXFKQORAFR-UHFFFAOYSA-N- Molecular formula
- C16H18N2O
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.1419132
Names & identifiers
- Preferred name
- 1-Benzyl-3-(2,4-xylyl)urea
- IUPAC
- 1-benzyl-3-(2,4-dimethylphenyl)urea
- English name
- 1-Benzyl-3-(2,4-xylyl)urea
- Molecular formula
- C16H18N2O
- Molecular weight
- 254.33
Names & synonyms
122020-38-61-benzyl-3-(2,4-xylyl)ureaRefChem:429816666-734-41-benzyl-3-(2,4-dimethylphenyl)ureaCHEMBL78032SCHEMBL27942152AKOS016502044N-benzyl-N'-(2,4-dimethylphenyl)ureaUrea, N-(2,4-dimethylphenyl)-N'-(phenylmethyl)-
Database identifiers
- CAS
122020-38-6- PubChem CID
- 4612352
- ChEMBL
CHEMBL78032- EC Number
- 666-734-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H319-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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