2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)
TL;DR: 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) (CAS 70729-69-0) is a chemical compound with molecular formula C8H17Cl2NO and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-dimethyl-prop-2-enylazanium chloride
Also Known As: allyl dimethylammoniumchloride, Allyl(3-chloro-2-hydroxypropyl)dimethylammonium chloride, 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride, 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1), N-(2-Hydroxy-3-chloropropyl)-N-allyl-N,N-dimethylammonium chloride
| Molecular Formula | C8H17Cl2NO |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | -2.15 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.06873 |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 70729-69-0 |
|---|---|
| SMILES | C[N+](C)(CC=C)CC(CCl)O.[Cl-] |
| InChIKey | ROHZEENBJZUCSE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) (CAS 70729-69-0), with molecular formula C8H17Cl2NO and molecular weight 213.07 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-dimethyl-prop-2-enylazanium chloride.
Chemical Property Profile of 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)
Property Insights of 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)
The XLogP value of -2.15 indicates that 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) has 1 hydrogen bond donor(s) and 2 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 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)?
The CAS number of 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) is 70729-69-0.
What is the molecular formula of 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)?
The molecular formula of 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) is C8H17Cl2NO.
What is the molecular weight of 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)?
The molecular weight of 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) is 213.07 g/mol.
Where can I buy 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)?
You can request a quote for 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Propen-1-aminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.