Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride
TL;DR: Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride (CAS 66903-11-5) is a chemical compound with molecular formula C12H17Cl2NO2 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethylazanium chloride
Also Known As: N-(2-Chloroethyl)-N-ethyl-3,4-methylenedioxybenzylamine hydrochloride, BENZYLAMINE, N-(2-CHLOROETHYL)-N-ETHYL-3,4-METHYLENEDIOXY-, HYDROCHLORIDE, 1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethylazanium chloride, 1,3-Benzodioxole-5-methanamine, N-(2-chloroethyl)-N-ethyl-, hydrochloride, RefChem:328810
| Molecular Formula | C12H17Cl2NO2 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | -1.94 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.06363 |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 66903-11-5 |
|---|---|
| SMILES | CC[NH+](CCCl)CC1=CC2=C(C=C1)OCO2.[Cl-] |
| InChIKey | HELHXITWALDFKB-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride (CAS 66903-11-5), with molecular formula C12H17Cl2NO2 and molecular weight 277.06 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl-(2-chloroethyl)-ethylazanium chloride.
Chemical Property Profile of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride
Property Insights of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride
The XLogP value of -1.94 indicates that Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, 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
Frequently Asked Questions
What is the CAS number of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride?
The CAS number of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride is 66903-11-5.
What is the molecular formula of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride?
The molecular formula of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride is C12H17Cl2NO2.
What is the molecular weight of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride?
The molecular weight of Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride is 277.06 g/mol.
Where can I buy Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride?
You can request a quote for Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-(2-chloroethyl)-N-ethyl-3,4-methylenedioxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.