2-Butene-1,4-diamine, N,N'-diethyl-
TL;DR: 2-Butene-1,4-diamine, N,N'-diethyl- (CAS 112-21-0) is a chemical compound with molecular formula C8H18N2 and molecular weight 142.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-diethylbut-2-ene-1,4-diamine
Also Known As: 2-Butene-1,4-diamine, N,N'-diethyl-, N,N'-Diethylbut-2-enylenediamine, n,n'-diethylbut-2-ene-1,4-diamine, N,N'-Diethyl-2-butene-1,4-diamine, N,N-DIETHYL-2-BUTENE-1,4-DIAMINE
| Molecular Formula | C8H18N2 |
|---|---|
| Molecular Weight | 142.15 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 142.147 |
| Heavy Atoms | 10 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 112-21-0 |
|---|---|
| SMILES | CCNCC=CCNCC |
| InChIKey | YWWSWEIXJXYQJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butene-1,4-diamine, N,N'-diethyl- (CAS 112-21-0), with molecular formula C8H18N2 and molecular weight 142.15 g/mol. IUPAC: N,N'-diethylbut-2-ene-1,4-diamine.
Chemical Property Profile of 2-Butene-1,4-diamine, N,N'-diethyl-
Property Insights of 2-Butene-1,4-diamine, N,N'-diethyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butene-1,4-diamine, N,N'-diethyl-. With a topological polar surface area (TPSA) of 24.1 Ų, 2-Butene-1,4-diamine, N,N'-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butene-1,4-diamine, N,N'-diethyl- has 2 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 2-Butene-1,4-diamine, N,N'-diethyl-?
The CAS number of 2-Butene-1,4-diamine, N,N'-diethyl- is 112-21-0.
What is the molecular formula of 2-Butene-1,4-diamine, N,N'-diethyl-?
The molecular formula of 2-Butene-1,4-diamine, N,N'-diethyl- is C8H18N2.
What is the molecular weight of 2-Butene-1,4-diamine, N,N'-diethyl-?
The molecular weight of 2-Butene-1,4-diamine, N,N'-diethyl- is 142.15 g/mol.
Where can I buy 2-Butene-1,4-diamine, N,N'-diethyl-?
You can request a quote for 2-Butene-1,4-diamine, N,N'-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butene-1,4-diamine, N,N'-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butene-1,4-diamine, N,N'-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.