Basic information
- CAS
412965-35-6- Standard SMILES
COc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1OC- InChIKey
KHGLUQBJFCWTSP-UHFFFAOYSA-N- Molecular formula
- C17H19ClN2O3
- Average molar mass
- 334.8 g/mol
- Monoisotopic mass
- 334.1084202
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
- IUPAC
- 1-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
- English name
- 1-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
- Molecular formula
- C17H19ClN2O3
- Molecular weight
- 334.79736
Names & synonyms
1-(4-chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]ureaCHEMBL2299364TimTec1_002179Oprea1_658467SCHEMBL22834241SCHEMBL29615207HMS1540D01BDBM50584041STK324725AKOS002665673412965-35-6ST030658
Show more names
BRD-K47856758-001-01-7n-(4-chlorophenyl)-n'-[2-(3,4-dimethoxyphenyl)ethyl]urea{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-(4-chlorophenyl)carboxamide1-(4-CHLORO-PHENYL)-3-(2-(3,4-DIMETHOXY-PHENYL)-ETHYL)-UREA
Database identifiers
- CAS
412965-35-6- PubChem CID
- 727786
- ChEMBL
CHEMBL2299364- EC Number
- 163-900-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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