正辛胺
TL;DR: 正辛胺 (CAS 111-86-4) is a chemical compound with molecular formula C8H19N and molecular weight 129.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正辛胺
octan-1-amine
Also Known As: Octylamine, octan-1-amine, N-OCTYLAMINE, 1-Aminooctane, 1-Octanamine
| Molecular Formula | C8H19N |
|---|---|
| Molecular Weight | 129.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 129.15175 |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Density | 0.779 @ 20°C |
| Vapor Pressure | 0.96 [mmHg] |
Chemical Identifiers
| CAS Number | 111-86-4 |
|---|---|
| SMILES | CCCCCCCCN |
| InChIKey | IOQPZZOEVPZRBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正辛胺 (CAS 111-86-4), with molecular formula C8H19N and molecular weight 129.15 g/mol. IUPAC: octan-1-amine.
Chemical Property Profile of 正辛胺
Property Insights of 正辛胺
The XLogP value of 3.1 indicates that 正辛胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 正辛胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正辛胺 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 正辛胺?
The CAS number of 正辛胺 is 111-86-4.
What is the molecular formula of 正辛胺?
The molecular formula of 正辛胺 is C8H19N.
What is the molecular weight of 正辛胺?
The molecular weight of 正辛胺 is 129.15 g/mol.
Where can I buy 正辛胺?
You can request a quote for 正辛胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正辛胺?
Yes, KEHONG BIO provides custom synthesis services for 正辛胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.