Basic information
- CAS
474892-43-8- Standard SMILES
CC1CN(C(=O)COC(=O)c2c(Cl)cccc2Cl)CC(C)O1- InChIKey
UGTPXQXEBKMHJY-UHFFFAOYSA-N- Molecular formula
- C15H17Cl2NO4
- Average molar mass
- 346.2 g/mol
- Monoisotopic mass
- 345.0534634
Names & identifiers
- Preferred name
- 2-(2,6-Dimethylmorpholino)-2-oxoethyl 2,6-dichlorobenzoate
- IUPAC
- [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoate
- English name
- WAY-351892
- Molecular formula
- C15H17Cl2NO4
- Molecular weight
- 346.21
Names & synonyms
474892-43-82-(2,6-Dimethylmorpholino)-2-oxoethyl 2,6-dichlorobenzoate2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl 2,6-dichlorobenzoate[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2,6-dichlorobenzoateOprea1_840736MLS001004356CHEMBL1892580DTXSID901328876HMS2696M15AKOS033617000AS-87215SMR000347949
Show more names
WAY-351892Benzoic acid, 2,6-dichloro-, 2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl ester
G63621Z18402615[2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 2,6-dichlorobenzoate
Database identifiers
- CAS
474892-43-8- PubChem CID
- 3545684
- DTXSID
DTXSID901328876- ChEMBL
CHEMBL1892580
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility49.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 507.6 · 507.6±50.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- -1.3 · -1.30±0.60(Predicted)
Chemistry & industry
Suppliers8 total
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Aladdin Scientific[email protected]
上海传芊化工科技中心15869524721 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…