Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride
TL;DR: Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 879-61-8) is a chemical compound with molecular formula C10H20Cl3N and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)cyclohexanamine;hydrochloride
Also Known As: TL 512 hydrochloride, Cyclohexylamine nitrogen mustard, Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride, N,N-Bis(2-chloroethyl)cyclohexylamine hydrochloride, N-Cyclohexyl-2,2'-dichlorodiethylamine hydrochloride
| Molecular Formula | C10H20Cl3N |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.06613 |
| Heavy Atoms | 14 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 879-61-8 |
|---|---|
| SMILES | C1CCC(CC1)N(CCCl)CCCl.Cl |
| InChIKey | NQPAICOXPNRJSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 879-61-8), with molecular formula C10H20Cl3N and molecular weight 259.07 g/mol. IUPAC: N,N-bis(2-chloroethyl)cyclohexanamine;hydrochloride.
Chemical Property Profile of Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride
Property Insights of Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride
The XLogP value of 3.52 indicates that Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylamine, N,N-bis(2-chloroethyl)-, 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 Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The CAS number of Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride is 879-61-8.
What is the molecular formula of Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular formula of Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride is C10H20Cl3N.
What is the molecular weight of Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular weight of Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride is 259.07 g/mol.
Where can I buy Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
You can request a quote for Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexylamine, N,N-bis(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.