Isopropylidenemalononitrile
TL;DR: Isopropylidenemalononitrile (CAS 13192-05-7) is a chemical compound with molecular formula C6H6N2 and molecular weight 106.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylidenepropanedinitrile
Also Known As: Isopropylidenemalononitrile, Tetracyanathylen, 2-Isopropylidene-malononitrile, 2-propan-2-ylidenepropanedinitrile, 2-Isopropylidenemalononitrile
| Molecular Formula | C6H6N2 |
|---|---|
| Molecular Weight | 106.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 106.0531 |
| Heavy Atoms | 8 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 13192-05-7 |
|---|---|
| SMILES | CC(=C(C#N)C#N)C |
| InChIKey | NVBHWAQBDJEGEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropylidenemalononitrile (CAS 13192-05-7), with molecular formula C6H6N2 and molecular weight 106.05 g/mol. IUPAC: 2-propan-2-ylidenepropanedinitrile.
Chemical Property Profile of Isopropylidenemalononitrile
Property Insights of Isopropylidenemalononitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropylidenemalononitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Isopropylidenemalononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylidenemalononitrile 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 Isopropylidenemalononitrile?
The CAS number of Isopropylidenemalononitrile is 13192-05-7.
What is the molecular formula of Isopropylidenemalononitrile?
The molecular formula of Isopropylidenemalononitrile is C6H6N2.
What is the molecular weight of Isopropylidenemalononitrile?
The molecular weight of Isopropylidenemalononitrile is 106.05 g/mol.
Where can I buy Isopropylidenemalononitrile?
You can request a quote for Isopropylidenemalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylidenemalononitrile?
Yes, KEHONG BIO provides custom synthesis services for Isopropylidenemalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.