![3-氮杂双环[3.2.2]壬烷-3-乙腈 structure](/static/products/1199/1199-73-1.webp)
3-氮杂双环[3.2.2]壬烷-3-乙腈
TL;DR: 3-氮杂双环[3.2.2]壬烷-3-乙腈 (CAS 1199-73-1) is a chemical compound with molecular formula C10H16N2 and molecular weight 164.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氮杂双环[3.2.2]壬烷-3-乙腈
2-(3-azabicyclo[3.2.2]nonan-3-yl)acetonitrile
Also Known As: 3-Cyanomethyl-3-azabicyclo(3.2.2)noname, 3-AZABICYCLO(3.2.2)NONANE-3-ACETONITRILE, 3-Azabicyclo(3.2.2)nonane, 3-cyanomethyl-, 3-Azabicyclo[3.2.2]nonane-3-acetonitrile, Acetonitrile, (3-azabicyclo(3.2.2)nonanyl)-
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 1199-73-1 |
|---|---|
| SMILES | C1CC2CCC1CN(C2)CC#N |
| InChIKey | FQSHZFMVVXODNQ-UHFFFAOYSA-N |
Product Overview
3-氮杂双环[3.2.2]壬烷-3-乙腈 (CAS 1199-73-1), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 2-(3-azabicyclo[3.2.2]nonan-3-yl)acetonitrile.
Chemical Property Profile of 3-氮杂双环[3.2.2]壬烷-3-乙腈
Property Insights of 3-氮杂双环[3.2.2]壬烷-3-乙腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氮杂双环[3.2.2]壬烷-3-乙腈. With a topological polar surface area (TPSA) of 27.0 Ų, 3-氮杂双环[3.2.2]壬烷-3-乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氮杂双环[3.2.2]壬烷-3-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 3-氮杂双环[3.2.2]壬烷-3-乙腈?
The CAS number of 3-氮杂双环[3.2.2]壬烷-3-乙腈 is 1199-73-1.
What is the molecular formula of 3-氮杂双环[3.2.2]壬烷-3-乙腈?
The molecular formula of 3-氮杂双环[3.2.2]壬烷-3-乙腈 is C10H16N2.
What is the molecular weight of 3-氮杂双环[3.2.2]壬烷-3-乙腈?
The molecular weight of 3-氮杂双环[3.2.2]壬烷-3-乙腈 is 164.13 g/mol.
Where can I buy 3-氮杂双环[3.2.2]壬烷-3-乙腈?
You can request a quote for 3-氮杂双环[3.2.2]壬烷-3-乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氮杂双环[3.2.2]壬烷-3-乙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-氮杂双环[3.2.2]壬烷-3-乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.