三(2-氯乙基)胺
TL;DR: 三(2-氯乙基)胺 (CAS 555-77-1) is a chemical compound with molecular formula C6H12Cl3N and molecular weight 203.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(2-氯乙基)胺
2-chloro-N,N-bis(2-chloroethyl)ethanamine
Also Known As: trichlormethine, Trimustine, Sinalost base, Trimitan base, Triclormetina
| Molecular Formula | C6H12Cl3N |
|---|---|
| Molecular Weight | 203.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 203.00352 |
| Heavy Atoms | 10 |
| Complexity | 55.0 |
| Melting Point | -3.9 °C |
| Boiling Point | 256.1 °C at 760 mmHg (calculated, decomposes) |
| Density | 1.2347 |
| Solubility | The undiluted liq decomp on standing and forms polymeric quaternary ammonium salts which are insol in the free base |
| Flash Point | High enough not to interfere with military use of the agent |
| Vapor Pressure | 0.0109 mmHg at 25.0 °C |
| Refractive Index | 1.4925 @ 25 °C |
Chemical Identifiers
| CAS Number | 555-77-1 |
|---|---|
| SMILES | C(CCl)N(CCCl)CCCl |
| InChIKey | FDAYLTPAFBGXAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三(2-氯乙基)胺 (CAS 555-77-1), with molecular formula C6H12Cl3N and molecular weight 203.00 g/mol. IUPAC: 2-chloro-N,N-bis(2-chloroethyl)ethanamine.
Chemical Property Profile of 三(2-氯乙基)胺
Property Insights of 三(2-氯乙基)胺
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三(2-氯乙基)胺. With a topological polar surface area (TPSA) of 3.2 Ų, 三(2-氯乙基)胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三(2-氯乙基)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 三(2-氯乙基)胺?
The CAS number of 三(2-氯乙基)胺 is 555-77-1.
What is the molecular formula of 三(2-氯乙基)胺?
The molecular formula of 三(2-氯乙基)胺 is C6H12Cl3N.
What is the molecular weight of 三(2-氯乙基)胺?
The molecular weight of 三(2-氯乙基)胺 is 203.00 g/mol.
Where can I buy 三(2-氯乙基)胺?
You can request a quote for 三(2-氯乙基)胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三(2-氯乙基)胺?
Yes, KEHONG BIO provides custom synthesis services for 三(2-氯乙基)胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.