六氢-1H-氮杂环庚-1-乙腈
TL;DR: 六氢-1H-氮杂环庚-1-乙腈 (CAS 54714-50-0) is a chemical compound with molecular formula C8H14N2 and molecular weight 138.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-1H-氮杂环庚-1-乙腈
2-(azepan-1-yl)acetonitrile
Also Known As: 2-(azepan-1-yl)acetonitrile, azepan-1-ylacetonitrile, Hexamethyleneiminoacetonitrile, 1-Azepanylacetonitrile, Hexahydro-1H-azepine-1-acetonitrile
| Molecular Formula | C8H14N2 |
|---|---|
| Molecular Weight | 138.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.11569 |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 54714-50-0 |
|---|---|
| SMILES | C1CCCN(CC1)CC#N |
| InChIKey | OHKGIEVCPHMZKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-1H-氮杂环庚-1-乙腈 (CAS 54714-50-0), with molecular formula C8H14N2 and molecular weight 138.12 g/mol. IUPAC: 2-(azepan-1-yl)acetonitrile.
Chemical Property Profile of 六氢-1H-氮杂环庚-1-乙腈
Property Insights of 六氢-1H-氮杂环庚-1-乙腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢-1H-氮杂环庚-1-乙腈. With a topological polar surface area (TPSA) of 27.0 Ų, 六氢-1H-氮杂环庚-1-乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢-1H-氮杂环庚-1-乙腈 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 六氢-1H-氮杂环庚-1-乙腈?
The CAS number of 六氢-1H-氮杂环庚-1-乙腈 is 54714-50-0.
What is the molecular formula of 六氢-1H-氮杂环庚-1-乙腈?
The molecular formula of 六氢-1H-氮杂环庚-1-乙腈 is C8H14N2.
What is the molecular weight of 六氢-1H-氮杂环庚-1-乙腈?
The molecular weight of 六氢-1H-氮杂环庚-1-乙腈 is 138.12 g/mol.
Where can I buy 六氢-1H-氮杂环庚-1-乙腈?
You can request a quote for 六氢-1H-氮杂环庚-1-乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢-1H-氮杂环庚-1-乙腈?
Yes, KEHONG BIO provides custom synthesis services for 六氢-1H-氮杂环庚-1-乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.