((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile
TL;DR: ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile (CAS 1024183-80-9) is a chemical compound with molecular formula C7H5N3 and molecular weight 131.04834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(prop-2-ynylamino)methylidene]propanedinitrile
Also Known As: 2-{[(prop-2-yn-1-yl)amino]methylidene}propanedinitrile, 2-[(prop-2-ynylamino)methylidene]propanedinitrile, ((PROP-2-YNYLAMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[(prop-2-ynylamino)methylene]propanedinitrile, 2-((Prop-2-yn-1-ylamino)methylene)malononitrile
Technical Specifications
| Molecular Formula | C7H5N3 |
| Molecular Weight | 131.04834 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.04834 Da |
| Heavy Atoms | 10 |
| Complexity | 254.0 |
| SMILES | C#CCNC=C(C#N)C#N |
| InChIKey | SGFIMSWKQLMCHA-UHFFFAOYSA-N |
Chemical Property Profile of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile
Property Insights of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile. With a topological polar surface area (TPSA) of 59.6 Ų, ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile?
The CAS number of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile is 1024183-80-9.
What is the molecular formula of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile is C7H5N3.
What is the molecular weight of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile is 131.04834 g/mol.
Where can I buy ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for ((Prop-2-ynylamino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.