1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate
TL;DR: 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate (CAS 100310-99-4) is a chemical compound with molecular formula C15H24N2O2 and molecular weight 264.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethanamine
Also Known As: 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate, 1,2,3,4,5,6-Hexahydro-1-benzazocine-1-ethylamine acetate, N-(2-Aminoethyl)-1,2,3,4,5,6-hexahydro-1-benzazocine acetate salt, 2-(3,4,5,6-Tetrahydro-1-benzazocin-1(2H)-yl)ethanamine acetate, 1-Benzazocine-1-ethylamine,1,2,3,4,5,6-hexahydro-,acetate
| Molecular Formula | C15H24N2O2 |
|---|---|
| Molecular Weight | 264.18 g/mol |
| LogP | 2.269 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.18378 |
| Heavy Atoms | 19 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 100310-99-4 |
|---|---|
| SMILES | CC(=O)O.C1CCC2=CC=CC=C2N(CC1)CCN |
| InChIKey | HQGBJQUVQHPPIQ-UHFFFAOYSA-N |
Product Overview
1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate (CAS 100310-99-4), with molecular formula C15H24N2O2 and molecular weight 264.18 g/mol. IUPAC: acetic acid;2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)ethanamine.
Chemical Property Profile of 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate
Property Insights of 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate
The XLogP value of 2.269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate. Following Lipinski's Rule of Five, 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate has 2 hydrogen bond donor(s) and 4 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 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate?
The CAS number of 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate is 100310-99-4.
What is the molecular formula of 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate?
The molecular formula of 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate is C15H24N2O2.
What is the molecular weight of 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate?
The molecular weight of 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate is 264.18 g/mol.
Where can I buy 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate?
You can request a quote for 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzazocine-1-ethylamine, 1,2,3,4,5,6-hexahydro-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.