双(2-氯乙基)乙胺
TL;DR: 双(2-氯乙基)乙胺 (CAS 538-07-8) is a chemical compound with molecular formula C6H13Cl2N and molecular weight 169.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2-氯乙基)乙胺
2-chloro-N-(2-chloroethyl)-N-ethylethanamine
Also Known As: Bis(2-chloroethyl)ethylamine, Ethyl-S, bis ethylamine, Nitrogen mustard (HN-1), HN-1 cpd
| Molecular Formula | C6H13Cl2N |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.04251 |
| Heavy Atoms | 9 |
| Complexity | 53.0 |
| Melting Point | -33.9 °C |
| Boiling Point | 85.0 °C at 12 mmHg |
| Density | 1.0861 at 23.0 °C |
| Solubility | In water, 160 mg/l @ 25 °C |
| Flash Point | High enough not to interfere with military use of the agent |
| Vapor Pressure | 0.24 mmHg at 25.0 °C |
| Refractive Index | =1.4653 at 25 °C |
Chemical Identifiers
| CAS Number | 538-07-8 |
|---|---|
| SMILES | CCN(CCCl)CCCl |
| InChIKey | UQZPGHOJMQTOHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(2-氯乙基)乙胺 (CAS 538-07-8), with molecular formula C6H13Cl2N and molecular weight 169.04 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-ethylethanamine.
Chemical Property Profile of 双(2-氯乙基)乙胺
Property Insights of 双(2-氯乙基)乙胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双(2-氯乙基)乙胺. With a topological polar surface area (TPSA) of 3.2 Ų, 双(2-氯乙基)乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(2-氯乙基)乙胺 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 双(2-氯乙基)乙胺?
The CAS number of 双(2-氯乙基)乙胺 is 538-07-8.
What is the molecular formula of 双(2-氯乙基)乙胺?
The molecular formula of 双(2-氯乙基)乙胺 is C6H13Cl2N.
What is the molecular weight of 双(2-氯乙基)乙胺?
The molecular weight of 双(2-氯乙基)乙胺 is 169.04 g/mol.
Where can I buy 双(2-氯乙基)乙胺?
You can request a quote for 双(2-氯乙基)乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2-氯乙基)乙胺?
Yes, KEHONG BIO provides custom synthesis services for 双(2-氯乙基)乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.