beta-Alanine, N,N-dimethyl-, ethyl ester
TL;DR: beta-Alanine, N,N-dimethyl-, ethyl ester (CAS 20120-21-2) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(dimethylamino)propanoate
Also Known As: ethyl 3-(dimethylamino)propanoate, ETHYL 3-DIMETHYLAMINOPROPIONATE, Ethyl 3-(dimethylamino)propionate, Ethyl N,N-dimethyl-beta-alaninate, N-Boc-1,6-diaminohexane
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 20120-21-2 |
|---|---|
| SMILES | CCOC(=O)CCN(C)C |
| InChIKey | IZMJWGJGVGRWBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N,N-dimethyl-, ethyl ester (CAS 20120-21-2), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: ethyl 3-(dimethylamino)propanoate.
Chemical Property Profile of beta-Alanine, N,N-dimethyl-, ethyl ester
Property Insights of beta-Alanine, N,N-dimethyl-, ethyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N,N-dimethyl-, ethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, beta-Alanine, N,N-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N,N-dimethyl-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Alanine, N,N-dimethyl-, ethyl ester?
The CAS number of beta-Alanine, N,N-dimethyl-, ethyl ester is 20120-21-2.
What is the molecular formula of beta-Alanine, N,N-dimethyl-, ethyl ester?
The molecular formula of beta-Alanine, N,N-dimethyl-, ethyl ester is C7H15NO2.
What is the molecular weight of beta-Alanine, N,N-dimethyl-, ethyl ester?
The molecular weight of beta-Alanine, N,N-dimethyl-, ethyl ester is 145.11 g/mol.
Where can I buy beta-Alanine, N,N-dimethyl-, ethyl ester?
You can request a quote for beta-Alanine, N,N-dimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N,N-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N,N-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.