二异丁胺
TL;DR: 二异丁胺 (CAS 110-96-3) 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.
二异丁胺
2-methyl-N-(2-methylpropyl)propan-1-amine
Also Known As: Diisobutylamine, di-isobutylamine, Amine, diisobutyl-, bis(2-methylpropyl)amine, diisobutyl-amine
| Molecular Formula | C8H19N |
|---|---|
| Molecular Weight | 129.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.15175 |
| Heavy Atoms | 9 |
| Complexity | 49.0 |
| Melting Point | -73.5 °C |
| Boiling Point | 282 to 140.0 °C at 760 mmHg |
| Density | 0.745 at 20.0 °C - Less dense than water; will float |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 29.4 °C |
| Vapor Pressure | 10 mmHg at 36.1 °C |
| Refractive Index | 1.4090 @ 20 °C; Sadtler reference number: 2246 (IR, Prism) |
Chemical Identifiers
| CAS Number | 110-96-3 |
|---|---|
| SMILES | CC(C)CNCC(C)C |
| InChIKey | NJBCRXCAPCODGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二异丁胺 (CAS 110-96-3), with molecular formula C8H19N and molecular weight 129.15 g/mol. IUPAC: 2-methyl-N-(2-methylpropyl)propan-1-amine.
Chemical Property Profile of 二异丁胺
Property Insights of 二异丁胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二异丁胺. With a topological polar surface area (TPSA) of 12.0 Ų, 二异丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二异丁胺 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 二异丁胺?
The CAS number of 二异丁胺 is 110-96-3.
What is the molecular formula of 二异丁胺?
The molecular formula of 二异丁胺 is C8H19N.
What is the molecular weight of 二异丁胺?
The molecular weight of 二异丁胺 is 129.15 g/mol.
Where can I buy 二异丁胺?
You can request a quote for 二异丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二异丁胺?
Yes, KEHONG BIO provides custom synthesis services for 二异丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.