Propanedinitrile, (2-methylpropylidene)-
TL;DR: Propanedinitrile, (2-methylpropylidene)- (CAS 13134-03-7) is a chemical compound with molecular formula C7H8N2 and molecular weight 120.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropylidene)propanedinitrile
Also Known As: Malononitrile, isobutylidene-, Isobutylidenemalononitrile, Isobutylidenemalonodinitrile, Isobutylidenmalonsaurenitril, Propanedinitrile, (2-methylpropylidene)-
| Molecular Formula | C7H8N2 |
|---|---|
| Molecular Weight | 120.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.06875 |
| Heavy Atoms | 9 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 13134-03-7 |
|---|---|
| SMILES | CC(C)C=C(C#N)C#N |
| InChIKey | QJVQEWMEWWZHHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedinitrile, (2-methylpropylidene)- (CAS 13134-03-7), with molecular formula C7H8N2 and molecular weight 120.07 g/mol. IUPAC: 2-(2-methylpropylidene)propanedinitrile.
Chemical Property Profile of Propanedinitrile, (2-methylpropylidene)-
Property Insights of Propanedinitrile, (2-methylpropylidene)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, (2-methylpropylidene)-. With a topological polar surface area (TPSA) of 47.6 Ų, Propanedinitrile, (2-methylpropylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedinitrile, (2-methylpropylidene)- 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, (2-methylpropylidene)-?
The CAS number of Propanedinitrile, (2-methylpropylidene)- is 13134-03-7.
What is the molecular formula of Propanedinitrile, (2-methylpropylidene)-?
The molecular formula of Propanedinitrile, (2-methylpropylidene)- is C7H8N2.
What is the molecular weight of Propanedinitrile, (2-methylpropylidene)-?
The molecular weight of Propanedinitrile, (2-methylpropylidene)- is 120.07 g/mol.
Where can I buy Propanedinitrile, (2-methylpropylidene)-?
You can request a quote for Propanedinitrile, (2-methylpropylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (2-methylpropylidene)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (2-methylpropylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.