Nitrogen mustard hydrochloride
TL;DR: Nitrogen mustard hydrochloride (CAS 55-86-7) is a chemical compound with molecular formula C5H12Cl3N and molecular weight 191.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride
Also Known As: Mechlorethamine hydrochloride, Chlormethine hydrochloride, Chlorethamine, Chlormethinum, Stickstofflost
| Molecular Formula | C5H12Cl3N |
|---|---|
| Molecular Weight | 191.00 g/mol |
| LogP | 1.82 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.00352 |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | 226 to 111.1 °C |
| Density | 1.118 @25 °C |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 55-86-7 |
|---|---|
| SMILES | CN(CCCl)CCCl.Cl |
| InChIKey | QZIQJVCYUQZDIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrogen mustard hydrochloride (CAS 55-86-7), with molecular formula C5H12Cl3N and molecular weight 191.00 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride.
Chemical Property Profile of Nitrogen mustard hydrochloride
Property Insights of Nitrogen mustard hydrochloride
The XLogP value of 1.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrogen mustard hydrochloride. With a topological polar surface area (TPSA) of 3.2 Ų, Nitrogen mustard hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nitrogen mustard hydrochloride has 1 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 Nitrogen mustard hydrochloride?
The CAS number of Nitrogen mustard hydrochloride is 55-86-7.
What is the molecular formula of Nitrogen mustard hydrochloride?
The molecular formula of Nitrogen mustard hydrochloride is C5H12Cl3N.
What is the molecular weight of Nitrogen mustard hydrochloride?
The molecular weight of Nitrogen mustard hydrochloride is 191.00 g/mol.
Where can I buy Nitrogen mustard hydrochloride?
You can request a quote for Nitrogen mustard hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrogen mustard hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nitrogen mustard hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.