Basic information
- CAS
36882-00-5- Standard SMILES
CN(C)CCOC(=O)Cc1ccccc1- InChIKey
KJAORRLXEXMTSY-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- Acetic acid, phenyl-, 2-(dimethylamino)ethyl ester
- IUPAC
- 2-(dimethylamino)ethyl 2-phenylacetate
- English name
- Cyclopentolate Impurity
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
36882-00-5Benzeneacetic acid, 2-(dimethylamino)ethyl esterACETIC ACID, PHENYL-, 2-(DIMETHYLAMINO)ETHYL ESTERBRN 3265368DTXSID701903664-09-00-01630 (Beilstein Handbook Reference)Phenylacetic acid, 2-dimethylaminoethyl esterRefChem:316686DTXCID80112857KJAORRLXEXMTSY-UHFFFAOYSA-N2-(dimethylamino)ethyl phenylacetatePhenylacetic acid 2-(dimethylamino)ethyl ester
Show more names
Cyclopentolate Impurity
2-(DIMETHYLAMINO)ETHYL 2-PHENYLACETATE2-(Dimethylamino)ethyl Phenylacetate HydrochlorideCyclopentolate Hydrochloride EP Impurity CSCHEMBL11038062STK182891AKOS003656841NCGC00338844-01AB01331327-02
Database identifiers
- CAS
36882-00-5- PubChem CID
- 37566
- DTXSID
DTXSID70190366
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 164 · 164-165 °C(Press: 23 Torr)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- pka
- 8.25 · 8.25±0.28(Predicted)
Chemistry & industry
Suppliers5 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
济南明觉生物医药科技有限公司18053168494; 15628895690 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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