Isobutylamine
TL;DR: Isobutylamine (CAS 78-81-9) is a chemical compound with molecular formula C4H11N and molecular weight 73.08915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropan-1-amine
Also Known As: ISOBUTYLAMINE, 2-methylpropan-1-amine, Valamine, 2-Methylpropylamine, Monoisobutylamine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H11N |
| Molecular Weight | 73.08915 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 73.08915 Da |
| Heavy Atoms | 5 |
| Complexity | 17.0 |
| Melting Point | -121 °F (NTP, 1992) |
| Boiling Point | 154 to 156 °F at 760 mmHg (NTP, 1992) |
| Density | 0.739 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 15 °F (NTP, 1992) |
| Vapor Pressure | 100 mmHg at 65.8 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.3988 at 17 °C/D |
| Solubility | Very soluble (NTP, 1992) |
| SMILES | CC(C)CN |
| InChIKey | KDSNLYIMUZNERS-UHFFFAOYSA-N |
Product Description
Applications: Isobutylamine 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. CoreyChem supplies Isobutylamine (CAS 78-81-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Isobutylamine (CAS 78-81-9) has the molecular formula C4H11N and a molecular weight of 73.09 g/mol. Reported properties include a density of 0.739 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Very soluble (NTP, 1992). It is also known as ISOBUTYLAMINE and 2-methylpropan-1-amine.
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 Isobutylamine
Property Insights of Isobutylamine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutylamine. With a topological polar surface area (TPSA) of 26.0 Ų, Isobutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylamine 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 Isobutylamine?
The CAS number of Isobutylamine is 78-81-9.
What is the molecular formula of Isobutylamine?
The molecular formula of Isobutylamine is C4H11N.
What is the molecular weight of Isobutylamine?
The molecular weight of Isobutylamine is 73.08915 g/mol.
What are the applications of Isobutylamine?
Isobutylamine 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. CoreyChem supplies Isobutylamine (CAS 78-81-9) with custom...
Where can I buy Isobutylamine?
You can request a quote for Isobutylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutylamine?
Yes, CoreyChem provides custom synthesis services for Isobutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.