二丁胺
TL;DR: 二丁胺 (CAS 111-92-2) 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.
二丁胺
N-butylbutan-1-amine
Also Known As: DIBUTYLAMINE, Di-n-butylamine, Dibutilamina, n-Dibutylamine, N-Butyl-1-butanamine
| Molecular Formula | C8H19N |
|---|---|
| Molecular Weight | 129.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 129.15175 |
| Heavy Atoms | 9 |
| Complexity | 37.0 |
| Melting Point | -76 to -58.9 °C |
| Boiling Point | 318 to 160.0 °C at 760 mmHg |
| Density | 0.759 at 20.0 °C - Less dense than water; will float |
| Solubility | Soluble (NTP, 1992) |
| Flash Point | 51.7 °C |
| Vapor Pressure | 0 mmHg |
| Refractive Index | 1.4177 @ 20 °C |
Chemical Identifiers
| CAS Number | 111-92-2 |
|---|---|
| SMILES | CCCCNCCCC |
| InChIKey | JQVDAXLFBXTEQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二丁胺 (CAS 111-92-2), with molecular formula C8H19N and molecular weight 129.15 g/mol. IUPAC: N-butylbutan-1-amine.
Chemical Property Profile of 二丁胺
Property Insights of 二丁胺
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二丁胺. With a topological polar surface area (TPSA) of 12.0 Ų, 二丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二丁胺 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 二丁胺?
The CAS number of 二丁胺 is 111-92-2.
What is the molecular formula of 二丁胺?
The molecular formula of 二丁胺 is C8H19N.
What is the molecular weight of 二丁胺?
The molecular weight of 二丁胺 is 129.15 g/mol.
Where can I buy 二丁胺?
You can request a quote for 二丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二丁胺?
Yes, KEHONG BIO provides custom synthesis services for 二丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.