Diisobutylamine
TL;DR: Diisobutylamine (CAS 110-96-3) is a chemical compound with molecular formula C8H19N and molecular weight 129.15175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-N-(2-methylpropyl)propan-1-amine
Also Known As: Diisobutylamine, di-isobutylamine, Amine, diisobutyl-, bis(2-methylpropyl)amine, diisobutyl-amine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H19N |
| Molecular Weight | 129.15175 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.15175 Da |
| Heavy Atoms | 9 |
| Complexity | 49.0 |
| Melting Point | -100.3 °F (NTP, 1992) |
| Boiling Point | 282 to 284 °F at 760 mmHg (NTP, 1992) |
| Density | 0.745 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 85 °F (NTP, 1992) |
| Vapor Pressure | 10 mmHg at 97 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4090 @ 20 °C/D; Sadtler reference number: 2246 (IR, Prism) |
| Solubility | Slightly soluble (NTP, 1992) |
| SMILES | CC(C)CNCC(C)C |
| InChIKey | NJBCRXCAPCODGX-UHFFFAOYSA-N |
Product Description
Applications: Diisobutylamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Diisobutylamine (CAS 110-96-3) is a heterocyclic building block with the molecular formula C8H19N and a molecular weight of 129.15 g/mol. Key physical properties include a density of 0.745 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Slightly soluble (NTP, 1992). Synonyms include Diisobutylamine and di-isobutylamine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Diisobutylamine
Property Insights of Diisobutylamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisobutylamine. With a topological polar surface area (TPSA) of 12.0 Ų, Diisobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutylamine 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
What is the CAS number of Diisobutylamine?
The CAS number of Diisobutylamine is 110-96-3.
What is the molecular formula of Diisobutylamine?
The molecular formula of Diisobutylamine is C8H19N.
What is the molecular weight of Diisobutylamine?
The molecular weight of Diisobutylamine is 129.15175 g/mol.
What are the applications of Diisobutylamine?
Diisobutylamine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Diisobutylamine?
You can request a quote for Diisobutylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisobutylamine?
Yes, CoreyChem provides custom synthesis services for Diisobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.