2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺
TL;DR: 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 (CAS 785712-86-9) is a chemical compound with molecular formula C12H26N2 and molecular weight 198.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺
2-(azepan-1-yl)-N,N-diethylethanamine
Also Known As: 1-(2-diethylamino-ethyl)-hexahydro-azepine, 2-(azepan-1-yl)-N,N-diethylethanamine
| Molecular Formula | C12H26N2 |
|---|---|
| Molecular Weight | 198.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.2096 |
| Heavy Atoms | 14 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 785712-86-9 |
|---|---|
| SMILES | CCN(CC)CCN1CCCCCC1 |
| InChIKey | OFQTTYARSSMPNX-UHFFFAOYSA-N |
Product Overview
2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 (CAS 785712-86-9), with molecular formula C12H26N2 and molecular weight 198.21 g/mol. IUPAC: 2-(azepan-1-yl)-N,N-diethylethanamine.
Chemical Property Profile of 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺
Property Insights of 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺. With a topological polar surface area (TPSA) of 6.5 Ų, 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 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 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺?
The CAS number of 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 is 785712-86-9.
What is the molecular formula of 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺?
The molecular formula of 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 is C12H26N2.
What is the molecular weight of 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺?
The molecular weight of 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 is 198.21 g/mol.
Where can I buy 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺?
You can request a quote for 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺?
Yes, KEHONG BIO provides custom synthesis services for 2-(氮杂环庚烷-1-基)-N,N-二乙基乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.