1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride
TL;DR: 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride (CAS 100517-14-4) is a chemical compound with molecular formula C6H14Cl2N2 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-bis(2-chloroethyl)ethane-1,2-diamine
Also Known As: Mustamine, N(CCCl)(CCCl)CCN, N,N-Bis(2-chloroethyl)ethylenediamine, 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride, N',N'-bis(2-chloroethyl)ethane-1,2-diamine
| Molecular Formula | C6H14Cl2N2 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.0534 |
| Heavy Atoms | 10 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 100517-14-4 |
|---|---|
| SMILES | C(CN(CCCl)CCCl)N |
| InChIKey | JKMILVOVUWCVPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride (CAS 100517-14-4), with molecular formula C6H14Cl2N2 and molecular weight 184.05 g/mol. IUPAC: N',N'-bis(2-chloroethyl)ethane-1,2-diamine.
Chemical Property Profile of 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride
Property Insights of 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 29.3 Ų, 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride has 1 hydrogen bond donor(s) and 2 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 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride?
The CAS number of 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride is 100517-14-4.
What is the molecular formula of 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride?
The molecular formula of 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride is C6H14Cl2N2.
What is the molecular weight of 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride?
The molecular weight of 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride is 184.05 g/mol.
Where can I buy 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride?
You can request a quote for 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N,N-bis(2-chloroethyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.