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2-(2-双环[2.2.1]庚亚基)乙胺
TL;DR: 2-(2-双环[2.2.1]庚亚基)乙胺 (CAS 80106-52-1) is a chemical compound with molecular formula C1CC2CC1CC2=CCN and molecular weight 137.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-双环[2.2.1]庚亚基)乙胺
2-(2-bicyclo[2.2.1]heptanylidene)ethanamine
Also Known As: 2-Bchye-ET, 2-Bicyclo(2.2.1)hept-2-ylideneethanamine, 2-(Bicyclo(2.2.1)hept-2-ylidene)ethanamine, 2-(2-Bicyclo[2.2.1]heptanylidene)ethanamine, Ethanamine,2-(bicyclo[2.2.1]hept-2-ylidene)-
| Molecular Formula | C1CC2CC1CC2=CCN |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 80106-52-1 |
|---|---|
| SMILES | C1CC2CC1CC2=CCN |
| InChIKey | CUCIOUSFEBXSGH-UHFFFAOYSA-N |
Product Overview
2-(2-双环[2.2.1]庚亚基)乙胺 (CAS 80106-52-1), with molecular formula C1CC2CC1CC2=CCN and molecular weight 137.12 g/mol. IUPAC: 2-(2-bicyclo[2.2.1]heptanylidene)ethanamine.
Chemical Property Profile of 2-(2-双环[2.2.1]庚亚基)乙胺
Property Insights of 2-(2-双环[2.2.1]庚亚基)乙胺
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-双环[2.2.1]庚亚基)乙胺. With a topological polar surface area (TPSA) of 26.0 Ų, 2-(2-双环[2.2.1]庚亚基)乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-双环[2.2.1]庚亚基)乙胺 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
Frequently Asked Questions
What is the CAS number of 2-(2-双环[2.2.1]庚亚基)乙胺?
The CAS number of 2-(2-双环[2.2.1]庚亚基)乙胺 is 80106-52-1.
What is the molecular formula of 2-(2-双环[2.2.1]庚亚基)乙胺?
The molecular formula of 2-(2-双环[2.2.1]庚亚基)乙胺 is C1CC2CC1CC2=CCN.
What is the molecular weight of 2-(2-双环[2.2.1]庚亚基)乙胺?
The molecular weight of 2-(2-双环[2.2.1]庚亚基)乙胺 is 137.12 g/mol.
Where can I buy 2-(2-双环[2.2.1]庚亚基)乙胺?
You can request a quote for 2-(2-双环[2.2.1]庚亚基)乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-双环[2.2.1]庚亚基)乙胺?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-双环[2.2.1]庚亚基)乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.