2,4,6-Cycloheptatriene-1-ethylamine
TL;DR: 2,4,6-Cycloheptatriene-1-ethylamine (CAS 100860-90-0) is a chemical compound with molecular formula C9H13N and molecular weight 135.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethylcyclohepta-2,4,6-trien-1-amine
Also Known As: beta-Tropylethylamine, Ethylamine, 2-(2,4,6-cycloheptatrienyl)-, N-ethylcyclohepta-2,4,6-trien-1-amine, 2,4,6-Cycloheptatriene-1-ethanamine, 2,4,6-CYCLOHEPTATRIENE-1-ETHYLAMINE
Technical Specifications
| Molecular Formula | C9H13N |
| Molecular Weight | 135.1048 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 Da |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
| SMILES | CCNC1C=CC=CC=C1 |
| InChIKey | LRYGNYAUDCTGFE-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Cycloheptatriene-1-ethylamine
Property Insights of 2,4,6-Cycloheptatriene-1-ethylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Cycloheptatriene-1-ethylamine. With a topological polar surface area (TPSA) of 12.0 Ų, 2,4,6-Cycloheptatriene-1-ethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatriene-1-ethylamine has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,6-Cycloheptatriene-1-ethylamine?
The CAS number of 2,4,6-Cycloheptatriene-1-ethylamine is 100860-90-0.
What is the molecular formula of 2,4,6-Cycloheptatriene-1-ethylamine?
The molecular formula of 2,4,6-Cycloheptatriene-1-ethylamine is C9H13N.
What is the molecular weight of 2,4,6-Cycloheptatriene-1-ethylamine?
The molecular weight of 2,4,6-Cycloheptatriene-1-ethylamine is 135.1048 g/mol.
Where can I buy 2,4,6-Cycloheptatriene-1-ethylamine?
You can request a quote for 2,4,6-Cycloheptatriene-1-ethylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Cycloheptatriene-1-ethylamine?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Cycloheptatriene-1-ethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.