Propanedinitrile, (1,2,2-trimethylpropyl)-
TL;DR: Propanedinitrile, (1,2,2-trimethylpropyl)- (CAS 110497-35-3) is a chemical compound with molecular formula C9H14N2 and molecular weight 150.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethylbutan-2-yl)propanedinitrile
Also Known As: (1,2,2-Trimethylpropyl)malononitrile, 2-(1,2,2-Trimethylpropyl)malononitrile, 2-(3,3-dimethylbutan-2-yl)propanedinitrile, 2-(3,3-dimethylbutan-2-yl)malononitrile, 2-(1,2,2-Trimethylpropyl)malononitrile #
| Molecular Formula | C9H14N2 |
|---|---|
| Molecular Weight | 150.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.11569 |
| Heavy Atoms | 11 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 110497-35-3 |
|---|---|
| SMILES | CC(C(C#N)C#N)C(C)(C)C |
| InChIKey | ZDZDGFAUSJDBGY-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, (1,2,2-trimethylpropyl)- (CAS 110497-35-3), with molecular formula C9H14N2 and molecular weight 150.12 g/mol. IUPAC: 2-(3,3-dimethylbutan-2-yl)propanedinitrile.
Chemical Property Profile of Propanedinitrile, (1,2,2-trimethylpropyl)-
Property Insights of Propanedinitrile, (1,2,2-trimethylpropyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, (1,2,2-trimethylpropyl)-. With a topological polar surface area (TPSA) of 47.6 Ų, Propanedinitrile, (1,2,2-trimethylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, (1,2,2-trimethylpropyl)- 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 Propanedinitrile, (1,2,2-trimethylpropyl)-?
The CAS number of Propanedinitrile, (1,2,2-trimethylpropyl)- is 110497-35-3.
What is the molecular formula of Propanedinitrile, (1,2,2-trimethylpropyl)-?
The molecular formula of Propanedinitrile, (1,2,2-trimethylpropyl)- is C9H14N2.
What is the molecular weight of Propanedinitrile, (1,2,2-trimethylpropyl)-?
The molecular weight of Propanedinitrile, (1,2,2-trimethylpropyl)- is 150.12 g/mol.
Where can I buy Propanedinitrile, (1,2,2-trimethylpropyl)-?
You can request a quote for Propanedinitrile, (1,2,2-trimethylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (1,2,2-trimethylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (1,2,2-trimethylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.