Xylamine
TL;DR: Xylamine (CAS 78686-02-9) is a chemical compound with molecular formula C12H18ClN and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine
Also Known As: Xylamine, starbld0007116, N-2-Chloroethyl-N-ethyl-2-methylbenzylamine, 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine, Benzenemethanamine, N-(2-chloroethyl)-N-ethyl-2-methyl-
| Molecular Formula | C12H18ClN |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.11278 |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 78686-02-9 |
|---|---|
| SMILES | CCN(CCCl)CC1=CC=CC=C1C |
| InChIKey | XHRCFGDFESIFRG-UHFFFAOYSA-N |
Product Overview
Xylamine (CAS 78686-02-9), with molecular formula C12H18ClN and molecular weight 211.11 g/mol. IUPAC: 2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine.
Chemical Property Profile of Xylamine
Property Insights of Xylamine
The XLogP value of 3.1 indicates that Xylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Xylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xylamine has 0 hydrogen bond donor(s) and 1 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 Xylamine?
The CAS number of Xylamine is 78686-02-9.
What is the molecular formula of Xylamine?
The molecular formula of Xylamine is C12H18ClN.
What is the molecular weight of Xylamine?
The molecular weight of Xylamine is 211.11 g/mol.
Where can I buy Xylamine?
You can request a quote for Xylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylamine?
Yes, KEHONG BIO provides custom synthesis services for Xylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.