3-(2-Chlorophenyl)-1,1-diisobutylurea
Basic information
- CAS
82744-80-7- Standard SMILES
CC(C)CN(CC(C)C)C(=O)Nc1ccccc1Cl- InChIKey
ZKWHIHJKUJWALJ-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O
- Average molar mass
- 282.81 g/mol
- Monoisotopic mass
- 282.1498911
Names & identifiers
- Preferred name
- 3-(2-Chlorophenyl)-1,1-diisobutylurea
- IUPAC
- 3-(2-chlorophenyl)-1,1-bis(2-methylpropyl)urea
Names & synonyms
3-(2-Chlorophenyl)-1,1-diisobutylureaRefChem:490899667-356-282744-80-7Urea, N'-(2-chlorophenyl)-N,N-bis(2-methylpropyl)-DTXSID30392940AKOS024335420N'-(2-Chlorophenyl)-N,N-bis(2-methylpropyl)urea
Database identifiers
- CAS
82744-80-7- PubChem CID
- 3486987
- DTXSID
DTXSID30392940- EC Number
- 667-356-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
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, P270, P301+P317, P330, 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. 4 (100%)
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Related reactions
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Compound notes
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