Basic information
- CAS
303092-05-9- Standard SMILES
CCCCCCCNC(=O)Nc1ccc(Cl)cc1- InChIKey
LXNNKGZQQRGXAO-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2O
- Average molar mass
- 268.78 g/mol
- Monoisotopic mass
- 268.134241
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-N'-heptylurea
- IUPAC
- 1-(4-chlorophenyl)-3-heptylurea
Names & synonyms
N-(4-chlorophenyl)-N'-heptylureaRefChem:827487303092-05-9684-108-9AKOS003410750
Database identifiers
- CAS
303092-05-9- PubChem CID
- 5161985
- EC Number
- 684-108-9
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
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, P273, P301+P317, P330, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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