Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-
TL;DR: Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- (CAS 101756-31-4) is a chemical compound with molecular formula C10H13N3 and molecular weight 175.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(azepan-1-ylmethylidene)propanedinitrile
Also Known As: Hexamethyleneimine-1-methylenemalononitrile, Malononitrile, (hexamethyleneiminemethylene)-, 2-(1-Azepanylmethylene)malononitrile, 2-(azepan-1-ylmethylidene)propanedinitrile, 2-(azepan-1-ylmethylene)propanedinitrile
Technical Specifications
| Molecular Formula | C10H13N3 |
| Molecular Weight | 175.11095 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.11095 Da |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
| SMILES | C1CCCN(CC1)C=C(C#N)C#N |
| InChIKey | ABEFTTALBAWWAH-UHFFFAOYSA-N |
Chemical Property Profile of Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-
Property Insights of Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-. With a topological polar surface area (TPSA) of 50.8 Ų, Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- has 0 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 Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-?
The CAS number of Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- is 101756-31-4.
What is the molecular formula of Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-?
The molecular formula of Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- is C10H13N3.
What is the molecular weight of Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-?
The molecular weight of Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- is 175.11095 g/mol.
Where can I buy Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-?
You can request a quote for Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)-?
Yes, CoreyChem provides custom synthesis services for Malononitrile, 1-((hexahydro-1H-azepin-1-yl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.