1-(4-Chloro-phenyl)-3-(2-(3-(4-chloro-phenyl)-ureido)-cyclohexyl)-urea
Basic information
- CAS
303092-04-8- Standard SMILES
O=C(Nc1ccc(Cl)cc1)NC1CCCCC1NC(=O)Nc1ccc(Cl)cc1- InChIKey
FNGBRYAGRVPKBR-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N4O2
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 420.1119813
Names & identifiers
- Preferred name
- 1-(4-Chloro-phenyl)-3-(2-(3-(4-chloro-phenyl)-ureido)-cyclohexyl)-urea
- IUPAC
- 1-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
- English name
- N',N'''-1,2-cyclohexanediylbis[N-(4-chlorophenyl)urea]
- Molecular formula
- C20H22Cl2N4O2
- Molecular weight
- 421.32
Names & synonyms
1-(4-CHLORO-PHENYL)-3-(2-(3-(4-CHLORO-PHENYL)-UREIDO)-CYCLOHEXYL)-UREARefChem:425166685-889-9303092-04-81-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)carbamoylamino]cyclohexyl]ureaAN-329/40826206Oprea1_583924Oprea1_658272DTXSID80387785STK085849AKOS000491246AKOS022086056
Show more names
N',N'''-1,2-cyclohexanediylbis[N-(4-chlorophenyl)urea]Urea, N,N''-1,2-cyclohexanediylbis[N'-(4-chlorophenyl)- (9CI)
1,1'-cyclohexane-1,2-diylbis[3-(4-chlorophenyl)urea]N,N'-Cyclohexane-1,2-diylbis[N'-(4-chlorophenyl)urea]N-(2-{[(4-chloroanilino)carbonyl]amino}cyclohexyl)-N'-(4-chlorophenyl)urea
Database identifiers
- CAS
303092-04-8- PubChem CID
- 2913309
- DTXSID
DTXSID80387785- EC Number
- 685-889-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Boiling point
- 549.692 · 549.692±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.362 · 1.362±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.725 · 12.725±0.40(predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
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Compound notes
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