2-(Bis(dimethylamino)methylene)malononitrile
TL;DR: 2-(Bis(dimethylamino)methylene)malononitrile (CAS 31774-36-4) is a chemical compound with molecular formula C8H12N4 and molecular weight 164.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(dimethylamino)methylidene]propanedinitrile
Also Known As: (bis-dimethylamino-methylene)-malononitrile, [bis(dimethylamino)methylene]malononitrile, 2-(Bis(dimethylamino)methylene)malononitrile, 2-[Bis(dimethylamino)methylene]propanedinitrile, 2-[bis(dimethylamino)methylene]malononitrile
| Molecular Formula | C8H12N4 |
|---|---|
| Molecular Weight | 164.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.1062 |
| Heavy Atoms | 12 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 31774-36-4 |
|---|---|
| SMILES | CN(C)C(=C(C#N)C#N)N(C)C |
| InChIKey | GRPULZMNGWULPL-UHFFFAOYSA-N |
Product Overview
2-(Bis(dimethylamino)methylene)malononitrile (CAS 31774-36-4), with molecular formula C8H12N4 and molecular weight 164.11 g/mol. IUPAC: 2-[bis(dimethylamino)methylidene]propanedinitrile.
Chemical Property Profile of 2-(Bis(dimethylamino)methylene)malononitrile
Property Insights of 2-(Bis(dimethylamino)methylene)malononitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bis(dimethylamino)methylene)malononitrile. With a topological polar surface area (TPSA) of 54.1 Ų, 2-(Bis(dimethylamino)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bis(dimethylamino)methylene)malononitrile has 0 hydrogen bond donor(s) and 4 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 2-(Bis(dimethylamino)methylene)malononitrile?
The CAS number of 2-(Bis(dimethylamino)methylene)malononitrile is 31774-36-4.
What is the molecular formula of 2-(Bis(dimethylamino)methylene)malononitrile?
The molecular formula of 2-(Bis(dimethylamino)methylene)malononitrile is C8H12N4.
What is the molecular weight of 2-(Bis(dimethylamino)methylene)malononitrile?
The molecular weight of 2-(Bis(dimethylamino)methylene)malononitrile is 164.11 g/mol.
Where can I buy 2-(Bis(dimethylamino)methylene)malononitrile?
You can request a quote for 2-(Bis(dimethylamino)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bis(dimethylamino)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(dimethylamino)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.