2-Butyne-1,4-diamine, N1,N4-diethyl-
TL;DR: 2-Butyne-1,4-diamine, N1,N4-diethyl- (CAS 112-22-1) is a chemical compound with molecular formula C8H16N2 and molecular weight 140.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-diethylbut-2-yne-1,4-diamine
Also Known As: N,N'-Diethyl-2-butyne-1,4-diamine, 2-Butyne-1,4-diamine, N,N'-diethyl-, N,N'-Diethylbut-2-ynylenediamine, N,N'-diethylbut-2-yne-1,4-diamine, 2-Butyne-1, N,N'-diethyl-
| Molecular Formula | C8H16N2 |
|---|---|
| Molecular Weight | 140.13 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.13135 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 112-22-1 |
|---|---|
| SMILES | CCNCC#CCNCC |
| InChIKey | DHLUQZDOGQUIOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butyne-1,4-diamine, N1,N4-diethyl- (CAS 112-22-1), with molecular formula C8H16N2 and molecular weight 140.13 g/mol. IUPAC: N,N'-diethylbut-2-yne-1,4-diamine.
Chemical Property Profile of 2-Butyne-1,4-diamine, N1,N4-diethyl-
Property Insights of 2-Butyne-1,4-diamine, N1,N4-diethyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyne-1,4-diamine, N1,N4-diethyl-. With a topological polar surface area (TPSA) of 24.1 Ų, 2-Butyne-1,4-diamine, N1,N4-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyne-1,4-diamine, N1,N4-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-Butyne-1,4-diamine, N1,N4-diethyl-?
The CAS number of 2-Butyne-1,4-diamine, N1,N4-diethyl- is 112-22-1.
What is the molecular formula of 2-Butyne-1,4-diamine, N1,N4-diethyl-?
The molecular formula of 2-Butyne-1,4-diamine, N1,N4-diethyl- is C8H16N2.
What is the molecular weight of 2-Butyne-1,4-diamine, N1,N4-diethyl-?
The molecular weight of 2-Butyne-1,4-diamine, N1,N4-diethyl- is 140.13 g/mol.
Where can I buy 2-Butyne-1,4-diamine, N1,N4-diethyl-?
You can request a quote for 2-Butyne-1,4-diamine, N1,N4-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyne-1,4-diamine, N1,N4-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyne-1,4-diamine, N1,N4-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.