Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride
TL;DR: Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride (CAS 113079-81-5) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
Also Known As: Cyclopentolate EP Impurity C, Cyclopentolate Impurity 2 HC, Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride, Cyclopentolate hydrochloride impurity C, 2-(dimethylamino)ethyl 2-phenylacetate;hydrochloride
Technical Specifications
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.1026 g/mol |
| XLogP | 1.7557 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.1026 Da |
| Heavy Atoms | 16 |
| Complexity | 186.0 |
| SMILES | CN(C)CCOC(=O)CC1=CC=CC=C1.Cl |
| InChIKey | UYXGGPXDOICQJO-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride
Property Insights of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride
The XLogP value of 1.7557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride?
The CAS number of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride is 113079-81-5.
What is the molecular formula of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride is C12H18ClNO2.
What is the molecular weight of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride is 243.1026 g/mol.
Where can I buy Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 2-(dimethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.