三乙烯胺
TL;DR: 三乙烯胺 (CAS 1116-00-3) is a chemical compound with molecular formula C6H9N and molecular weight 95.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三乙烯胺
N,N-bis(ethenyl)ethenamine
Also Known As: Triethylene amine, trivinylamine, Ethenamine, N,N-diethenyl-, vinyl nitride, Trivinyl-amine
| Molecular Formula | C6H9N |
|---|---|
| Molecular Weight | 95.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 95.0735 |
| Heavy Atoms | 7 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 1116-00-3 |
|---|---|
| SMILES | C=CN(C=C)C=C |
| InChIKey | VIJMMQUAJQEELS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三乙烯胺 (CAS 1116-00-3), with molecular formula C6H9N and molecular weight 95.07 g/mol. IUPAC: N,N-bis(ethenyl)ethenamine.
Chemical Property Profile of 三乙烯胺
Property Insights of 三乙烯胺
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三乙烯胺. With a topological polar surface area (TPSA) of 3.2 Ų, 三乙烯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三乙烯胺 has 0 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 三乙烯胺?
The CAS number of 三乙烯胺 is 1116-00-3.
What is the molecular formula of 三乙烯胺?
The molecular formula of 三乙烯胺 is C6H9N.
What is the molecular weight of 三乙烯胺?
The molecular weight of 三乙烯胺 is 95.07 g/mol.
Where can I buy 三乙烯胺?
You can request a quote for 三乙烯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三乙烯胺?
Yes, KEHONG BIO provides custom synthesis services for 三乙烯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.