2,4,6-环庚三烯-1-乙胺
TL;DR: 2,4,6-环庚三烯-1-乙胺 (CAS 100860-90-0) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-环庚三烯-1-乙胺
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
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 100860-90-0 |
|---|---|
| SMILES | CCNC1C=CC=CC=C1 |
| InChIKey | LRYGNYAUDCTGFE-UHFFFAOYSA-N |
Product Overview
2,4,6-环庚三烯-1-乙胺 (CAS 100860-90-0), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: N-ethylcyclohepta-2,4,6-trien-1-amine.
Chemical Property Profile of 2,4,6-环庚三烯-1-乙胺
Property Insights of 2,4,6-环庚三烯-1-乙胺
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-环庚三烯-1-乙胺. With a topological polar surface area (TPSA) of 12.0 Ų, 2,4,6-环庚三烯-1-乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-环庚三烯-1-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 2,4,6-环庚三烯-1-乙胺?
The CAS number of 2,4,6-环庚三烯-1-乙胺 is 100860-90-0.
What is the molecular formula of 2,4,6-环庚三烯-1-乙胺?
The molecular formula of 2,4,6-环庚三烯-1-乙胺 is C9H13N.
What is the molecular weight of 2,4,6-环庚三烯-1-乙胺?
The molecular weight of 2,4,6-环庚三烯-1-乙胺 is 135.10 g/mol.
Where can I buy 2,4,6-环庚三烯-1-乙胺?
You can request a quote for 2,4,6-环庚三烯-1-乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-环庚三烯-1-乙胺?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-环庚三烯-1-乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.