1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride
TL;DR: 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride (CAS 100447-57-2) is a chemical compound with molecular formula C12H17Cl2NO2 and molecular weight 277.06363 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloroethyl-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-methylazanium chloride
Also Known As: 2-(N-Methyl-N-(2-chloroethyl)aminomethyl)-1,4-benzodioxan hydrochloride, 1,4-BENZODIOXAN, 2-((N-2-CHLOROETHYL-N-METHYL)AMINO)METHYL-, HYDROCHLORIDE, 2-Benzimidazolinone,1-(1-(3-phenylsulfonylpropyl)-4-piperidyl), 2-chloro-n-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-n-methylethanaminium chloride, 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylethanamine;hydrochloride
Technical Specifications
| Molecular Formula | C12H17Cl2NO2 |
| Molecular Weight | 277.06363 g/mol |
| XLogP | -2.42 |
| Topological Polar Surface Area (TPSA) | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.06363 Da |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
| SMILES | C[NH+](CCCl)CC1COC2=CC=CC=C2O1.[Cl-] |
| InChIKey | LVRFYDCLCPKDSV-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride
Property Insights of 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride
The XLogP value of -2.42 indicates that 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, 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, 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, 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 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride?
The CAS number of 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride is 100447-57-2.
What is the molecular formula of 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride?
The molecular formula of 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride is C12H17Cl2NO2.
What is the molecular weight of 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride?
The molecular weight of 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride is 277.06363 g/mol.
Where can I buy 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride?
You can request a quote for 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzodioxan, 2-((N-2-chloroethyl-N-methyl)amino)methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.