1-Benzyl-3-(2,6-diethylphenyl)urea
Basic information
- CAS
133611-88-8- Standard SMILES
CCc1cccc(CC)c1NC(=O)NCc1ccccc1- InChIKey
XUMMSLQHZKYAMD-UHFFFAOYSA-N- Molecular formula
- C18H22N2O
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.17321333
Names & identifiers
- Preferred name
- 1-Benzyl-3-(2,6-diethylphenyl)urea
- IUPAC
- 1-benzyl-3-(2,6-diethylphenyl)urea
Names & synonyms
1-benzyl-3-(2,6-diethylphenyl)ureaRefChem:429818133611-88-8665-777-6AKOS008130217Z410138886
Database identifiers
- CAS
133611-88-8- PubChem CID
- 4116752
- EC Number
- 665-777-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, 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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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