beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride
TL;DR: beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride (CAS 89583-19-7) is a chemical compound with molecular formula C6H13Cl2NO2 and molecular weight 201.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carboxyethyl-(2-chloroethyl)-methylazanium chloride
Also Known As: N-Methyl-N-(2-chloroethyl)-beta-alanine hydrochloride, 2-carboxyethyl-(2-chloroethyl)-methylazanium chloride, N-(2-Chloroethyl)-N-methyl-beta-alanine hydrochloride, beta-ALANINE, N-(2-CHLOROETHYL)-N-METHYL-, HYDROCHLORIDE, RefChem:1079598
| Molecular Formula | C6H13Cl2NO2 |
|---|---|
| Molecular Weight | 201.03 g/mol |
| LogP | -3.78 |
| Topological Polar Surface Area | 41.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.03233 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 89583-19-7 |
|---|---|
| SMILES | C[NH+](CCC(=O)O)CCCl.[Cl-] |
| InChIKey | FEDFBUBSNGFRPP-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride (CAS 89583-19-7), with molecular formula C6H13Cl2NO2 and molecular weight 201.03 g/mol. IUPAC: 2-carboxyethyl-(2-chloroethyl)-methylazanium chloride.
Chemical Property Profile of beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride
Property Insights of beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride
The XLogP value of -3.78 indicates that beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.7 Ų, beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride has 2 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-(2-chloroethyl)-N-methyl-, hydrochloride?
The CAS number of beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride is 89583-19-7.
What is the molecular formula of beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride?
The molecular formula of beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride is C6H13Cl2NO2.
What is the molecular weight of beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride?
The molecular weight of beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride is 201.03 g/mol.
Where can I buy beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride?
You can request a quote for beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride 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-(2-chloroethyl)-N-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(2-chloroethyl)-N-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.