beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride
TL;DR: beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride (CAS 92105-56-1) is a chemical compound with molecular formula C13H19Cl2NO2 and molecular weight 291.07928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-(2-chloroethyl)-(3-methoxy-3-oxopropyl)azanium chloride
Also Known As: benzyl- - azaniumchloride, N-Benzyl-N-(2-chloroethyl)-beta-alanine methyl ester hydrochloride, beta-ALANINE, N-BENZYL-N-(2-CHLOROETHYL)-, METHYL ESTER, HYDROCHLORIDE, benzyl-(2-chloroethyl)-(3-methoxy-3-oxopropyl)azanium chloride, 2-Chloroethyl-(3-methoxy-3-oxopropyl)-(phenylmethyl)azanium chloride
Technical Specifications
| Molecular Formula | C13H19Cl2NO2 |
| Molecular Weight | 291.07928 g/mol |
| XLogP | -2.12 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.07928 Da |
| Heavy Atoms | 18 |
| Complexity | 217.0 |
| SMILES | COC(=O)CC[NH+](CCCl)CC1=CC=CC=C1.[Cl-] |
| InChIKey | VFERURGQBKVBDV-UHFFFAOYSA-N |
Chemical Property Profile of beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride
Property Insights of beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride
The XLogP value of -2.12 indicates that beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl 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 beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride?
The CAS number of beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride is 92105-56-1.
What is the molecular formula of beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride?
The molecular formula of beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride is C13H19Cl2NO2.
What is the molecular weight of beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride?
The molecular weight of beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride is 291.07928 g/mol.
Where can I buy beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride?
You can request a quote for beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for beta-Alanine, N-benzyl-N-(2-chloroethyl)-, methyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.