1,2-Cyclohexanediacetonitrile
TL;DR: 1,2-Cyclohexanediacetonitrile (CAS 97920-04-2) is a chemical compound with molecular formula C10H14N2 and molecular weight 162.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(cyanomethyl)cyclohexyl]acetonitrile
Also Known As: 1,2-CYCLOHEXANEDIACETONITRILE, 2-[2-(cyanomethyl)cyclohexyl]acetonitrile, 2,2'-(Cyclohexane-1,2-diyl)diacetonitrile, 633-046-0, RefChem:411435
| Molecular Formula | C10H14N2 |
|---|---|
| Molecular Weight | 162.12 g/mol |
| LogP | 2.62016 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.11569 |
| Heavy Atoms | 12 |
| Complexity | 184.85892 |
Chemical Identifiers
| CAS Number | 97920-04-2 |
|---|---|
| SMILES | C1CCC(C(C1)CC#N)CC#N |
Product Overview
1,2-Cyclohexanediacetonitrile (CAS 97920-04-2), with molecular formula C10H14N2 and molecular weight 162.12 g/mol. IUPAC: 2-[2-(cyanomethyl)cyclohexyl]acetonitrile.
Chemical Property Profile of 1,2-Cyclohexanediacetonitrile
Property Insights of 1,2-Cyclohexanediacetonitrile
The XLogP value of 2.62016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Cyclohexanediacetonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 1,2-Cyclohexanediacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Cyclohexanediacetonitrile 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 1,2-Cyclohexanediacetonitrile?
The CAS number of 1,2-Cyclohexanediacetonitrile is 97920-04-2.
What is the molecular formula of 1,2-Cyclohexanediacetonitrile?
The molecular formula of 1,2-Cyclohexanediacetonitrile is C10H14N2.
What is the molecular weight of 1,2-Cyclohexanediacetonitrile?
The molecular weight of 1,2-Cyclohexanediacetonitrile is 162.12 g/mol.
Where can I buy 1,2-Cyclohexanediacetonitrile?
You can request a quote for 1,2-Cyclohexanediacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclohexanediacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclohexanediacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.