1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
TL;DR: 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- (CAS 102446-38-8) is a chemical compound with molecular formula C9H20Cl2N2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(2-chloroethyl)-N,N'-dimethylpropane-1,3-diamine
Also Known As: 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-, 4-04-00-01260 (Beilstein Handbook Reference), N,N'-Bis(2-chloroethyl)-N,N'-dimethyl-1,3-propanediamine, n,n'-bis(2-chloroethyl)-n,n'-dimethyl-propane-1,3-diamine, N,N'-bis(2-chloroethyl)-N,N'-dimethylpropane-1,3-diamine
| Molecular Formula | C9H20Cl2N2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.7177 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 226.10036 |
| Heavy Atoms | 13 |
| Complexity | 99.78783 |
Chemical Identifiers
| CAS Number | 102446-38-8 |
|---|---|
| SMILES | CN(CCCN(C)CCCl)CCCl |
Product Overview
1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- (CAS 102446-38-8), with molecular formula C9H20Cl2N2 and molecular weight 226.10 g/mol. IUPAC: N,N'-bis(2-chloroethyl)-N,N'-dimethylpropane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
Property Insights of 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-
The XLogP value of 1.7177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-. With a topological polar surface area (TPSA) of 6.48 Ų, 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- has 0 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 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-?
The CAS number of 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- is 102446-38-8.
What is the molecular formula of 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-?
The molecular formula of 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- is C9H20Cl2N2.
What is the molecular weight of 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-?
The molecular weight of 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- is 226.10 g/mol.
Where can I buy 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-?
You can request a quote for 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N,N'-bis(2-chloroethyl)-N,N'-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.