2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide
TL;DR: 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide (CAS 13713-13-8) is a chemical compound with molecular formula C17H32I2N2 and molecular weight 518.0655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[3-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)propyl]azanium diiodide
Also Known As: 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide, 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(3-(trimethylammonio)propyl)-, diodide, 2-Methyl-2-[3-(trimethylazaniumyl)propyl]-2,3,3a,4,7,7a-hexahydro-1H-4,7-ethanoisoindol-2-ium diiodide
Technical Specifications
| Molecular Formula | C17H32I2N2 |
| Molecular Weight | 518.0655 g/mol |
| XLogP | -3.6207 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.0655 Da |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
| SMILES | C[N+]1(CC2C3CCC(C2C1)C=C3)CCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | OIJRTZNXCMPJOO-UHFFFAOYSA-L |
Chemical Property Profile of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide
Property Insights of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide
The XLogP value of -3.6207 indicates that 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide?
The CAS number of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide is 13713-13-8.
What is the molecular formula of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide?
The molecular formula of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide is C17H32I2N2.
What is the molecular weight of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide?
The molecular weight of 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide is 518.0655 g/mol.
Where can I buy 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide?
You can request a quote for 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide?
Yes, CoreyChem provides custom synthesis services for 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.