2-(1,3-Bisdimethylamino-allylidene)malononitrile
TL;DR: 2-(1,3-Bisdimethylamino-allylidene)malononitrile (CAS 91945-90-3) is a chemical compound with molecular formula C10H14N4 and molecular weight 190.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile
Also Known As: 2-(1,3-bisdimethylamino-allylidene)malononitrile, 2-[1,3-bis(dimethylamino)-2-propenylidene]malononitrile, 2-[1,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile, 2-[1,3-Bis(dimethylamino)-2-propenylidene] malononitrile
| Molecular Formula | C10H14N4 |
|---|---|
| Molecular Weight | 190.12 g/mol |
| LogP | 0.92456 |
| Topological Polar Surface Area | 54.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.12184 |
| Heavy Atoms | 14 |
| Complexity | 307.0116 |
Chemical Identifiers
| CAS Number | 91945-90-3 |
|---|---|
| SMILES | CN(C)C=CC(=C(C#N)C#N)N(C)C |
Product Overview
2-(1,3-Bisdimethylamino-allylidene)malononitrile (CAS 91945-90-3), with molecular formula C10H14N4 and molecular weight 190.12 g/mol. IUPAC: 2-[1,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-(1,3-Bisdimethylamino-allylidene)malononitrile
Property Insights of 2-(1,3-Bisdimethylamino-allylidene)malononitrile
The XLogP value of 0.92456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Bisdimethylamino-allylidene)malononitrile. With a topological polar surface area (TPSA) of 54.06 Ų, 2-(1,3-Bisdimethylamino-allylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Bisdimethylamino-allylidene)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-(1,3-Bisdimethylamino-allylidene)malononitrile?
The CAS number of 2-(1,3-Bisdimethylamino-allylidene)malononitrile is 91945-90-3.
What is the molecular formula of 2-(1,3-Bisdimethylamino-allylidene)malononitrile?
The molecular formula of 2-(1,3-Bisdimethylamino-allylidene)malononitrile is C10H14N4.
What is the molecular weight of 2-(1,3-Bisdimethylamino-allylidene)malononitrile?
The molecular weight of 2-(1,3-Bisdimethylamino-allylidene)malononitrile is 190.12 g/mol.
Where can I buy 2-(1,3-Bisdimethylamino-allylidene)malononitrile?
You can request a quote for 2-(1,3-Bisdimethylamino-allylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Bisdimethylamino-allylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Bisdimethylamino-allylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.