甲基(1,1,2-三甲基丙基)丙二腈
TL;DR: 甲基(1,1,2-三甲基丙基)丙二腈 (CAS 85688-96-6) 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.
甲基(1,1,2-三甲基丙基)丙二腈
2-(2,3-dimethylbutan-2-yl)-2-methylpropanedinitrile
Also Known As: Methyl(1,1,2-trimethylpropyl)malononitrile, Methyl(1,1,2-trimethylpropyl)malononitril, 2-(2,3-dimethylbutan-2-yl)-2-methylpropanedinitrile, (2,3-Dimethylbutan-2-yl)(methyl)propanedinitrile, 2-(2,3-dimethylbutan-2-yl)-2-methylmalononitrile
| Molecular Formula | C10H16N2 |
|---|---|
| Molecular Weight | 164.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.13135 |
| Heavy Atoms | 12 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 85688-96-6 |
|---|---|
| SMILES | CC(C)C(C)(C)C(C)(C#N)C#N |
| InChIKey | ZMCKYPPOTHYZAA-UHFFFAOYSA-N |
Product Overview
甲基(1,1,2-三甲基丙基)丙二腈 (CAS 85688-96-6), with molecular formula C10H16N2 and molecular weight 164.13 g/mol. IUPAC: 2-(2,3-dimethylbutan-2-yl)-2-methylpropanedinitrile.
Chemical Property Profile of 甲基(1,1,2-三甲基丙基)丙二腈
Property Insights of 甲基(1,1,2-三甲基丙基)丙二腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基(1,1,2-三甲基丙基)丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, 甲基(1,1,2-三甲基丙基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基(1,1,2-三甲基丙基)丙二腈 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 甲基(1,1,2-三甲基丙基)丙二腈?
The CAS number of 甲基(1,1,2-三甲基丙基)丙二腈 is 85688-96-6.
What is the molecular formula of 甲基(1,1,2-三甲基丙基)丙二腈?
The molecular formula of 甲基(1,1,2-三甲基丙基)丙二腈 is C10H16N2.
What is the molecular weight of 甲基(1,1,2-三甲基丙基)丙二腈?
The molecular weight of 甲基(1,1,2-三甲基丙基)丙二腈 is 164.13 g/mol.
Where can I buy 甲基(1,1,2-三甲基丙基)丙二腈?
You can request a quote for 甲基(1,1,2-三甲基丙基)丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基(1,1,2-三甲基丙基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 甲基(1,1,2-三甲基丙基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.