正己胺
TL;DR: 正己胺 (CAS 111-26-2) is a chemical compound with molecular formula C6H15N and molecular weight 101.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正己胺
hexan-1-amine
Also Known As: Hexylamine, hexan-1-amine, n-Hexylamine, 1-Aminohexane, 1-Hexylamine
| Molecular Formula | C6H15N |
|---|---|
| Molecular Weight | 101.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 101.12045 |
| Heavy Atoms | 7 |
| Complexity | 27.0 |
| Melting Point | -21 °C |
| Boiling Point | 132 °C |
| Density | 0.7660 g/cu cm at 20 °C |
| Solubility | In water, 12,000 mg/L at 20-25 °C |
| Flash Point | 29.4 °C (NFPA, 2010) |
| Vapor Pressure | 8.99 [mmHg] |
| Refractive Index | 1.4180 at 20 °C |
Chemical Identifiers
| CAS Number | 111-26-2 |
|---|---|
| SMILES | CCCCCCN |
| InChIKey | BMVXCPBXGZKUPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正己胺 (CAS 111-26-2), with molecular formula C6H15N and molecular weight 101.12 g/mol. IUPAC: hexan-1-amine.
Chemical Property Profile of 正己胺
Property Insights of 正己胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正己胺. With a topological polar surface area (TPSA) of 26.0 Ų, 正己胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正己胺 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 正己胺?
The CAS number of 正己胺 is 111-26-2.
What is the molecular formula of 正己胺?
The molecular formula of 正己胺 is C6H15N.
What is the molecular weight of 正己胺?
The molecular weight of 正己胺 is 101.12 g/mol.
Where can I buy 正己胺?
You can request a quote for 正己胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正己胺?
Yes, KEHONG BIO provides custom synthesis services for 正己胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.