2-Aminobenzobicyclo(2.2.2.)octene
TL;DR: 2-Aminobenzobicyclo(2.2.2.)octene (CAS 14507-51-8) is a chemical compound with molecular formula C12H15N and molecular weight 173.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-amine
Also Known As: 2-Aminobenzobicyclo(2.2.2.)octene, 1,2,3,4-tetrahydro-1,4-ethanonaphthalen-2-amine, KST-1B0503, tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-amine, 1,4-Ethanonaphthalen-2-amine, 1,2,3,4-tetrahydro-, (1alpha,2beta,4alpha)-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15N |
| Molecular Weight | 173.12045 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 Da |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
| SMILES | C1CC2C(CC1C3=CC=CC=C23)N |
| InChIKey | KEDDYAZGOUYPKC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Aminobenzobicyclo(2.2.2.)octene
Property Insights of 2-Aminobenzobicyclo(2.2.2.)octene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Aminobenzobicyclo(2.2.2.)octene. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Aminobenzobicyclo(2.2.2.)octene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Aminobenzobicyclo(2.2.2.)octene 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-Aminobenzobicyclo(2.2.2.)octene?
The CAS number of 2-Aminobenzobicyclo(2.2.2.)octene is 14507-51-8.
What is the molecular formula of 2-Aminobenzobicyclo(2.2.2.)octene?
The molecular formula of 2-Aminobenzobicyclo(2.2.2.)octene is C12H15N.
What is the molecular weight of 2-Aminobenzobicyclo(2.2.2.)octene?
The molecular weight of 2-Aminobenzobicyclo(2.2.2.)octene is 173.12045 g/mol.
Where can I buy 2-Aminobenzobicyclo(2.2.2.)octene?
You can request a quote for 2-Aminobenzobicyclo(2.2.2.)octene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Aminobenzobicyclo(2.2.2.)octene?
Yes, CoreyChem provides custom synthesis services for 2-Aminobenzobicyclo(2.2.2.)octene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.