丁-2-亚基叔丁基胺
TL;DR: 丁-2-亚基叔丁基胺 (CAS 6943-47-1) is a chemical compound with molecular formula C8H15N and molecular weight 125.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁-2-亚基叔丁基胺
N-tert-butylbut-2-en-1-imine
Also Known As: N-tert-butylbut-2-en-1-imine, But-2-enylidene-tert-butyl-amine, (Z)-N-tert-butylbut-2-en-1-imine
| Molecular Formula | C8H15N |
|---|---|
| Molecular Weight | 125.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.12045 |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 6943-47-1 |
|---|---|
| SMILES | CC=CC=NC(C)(C)C |
| InChIKey | ORPGAOYOWYKKCL-UHFFFAOYSA-N |
Product Overview
丁-2-亚基叔丁基胺 (CAS 6943-47-1), with molecular formula C8H15N and molecular weight 125.12 g/mol. IUPAC: N-tert-butylbut-2-en-1-imine.
Chemical Property Profile of 丁-2-亚基叔丁基胺
Property Insights of 丁-2-亚基叔丁基胺
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁-2-亚基叔丁基胺. With a topological polar surface area (TPSA) of 12.4 Ų, 丁-2-亚基叔丁基胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁-2-亚基叔丁基胺 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 丁-2-亚基叔丁基胺?
The CAS number of 丁-2-亚基叔丁基胺 is 6943-47-1.
What is the molecular formula of 丁-2-亚基叔丁基胺?
The molecular formula of 丁-2-亚基叔丁基胺 is C8H15N.
What is the molecular weight of 丁-2-亚基叔丁基胺?
The molecular weight of 丁-2-亚基叔丁基胺 is 125.12 g/mol.
Where can I buy 丁-2-亚基叔丁基胺?
You can request a quote for 丁-2-亚基叔丁基胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁-2-亚基叔丁基胺?
Yes, KEHONG BIO provides custom synthesis services for 丁-2-亚基叔丁基胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.