1,3-Dimethylbutylamine
TL;DR: 1,3-Dimethylbutylamine (CAS 108-09-8) is a chemical compound with molecular formula C6H15N and molecular weight 101.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpentan-2-amine
Also Known As: 1,3-DIMETHYLBUTYLAMINE, 4-methylpentan-2-amine, 2-Amino-4-methylpentane, 2-Pentanamine, 4-methyl-, 1,3-Dimethylbutanamine
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H15N |
| Molecular Weight | 101.12045 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.12045 Da |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
| Boiling Point | 223 to 228 °F at 760 mmHg (NTP, 1992) |
| Density | 0.75 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 55 °F (NTP, 1992) |
| SMILES | CC(C)CC(C)N |
| InChIKey | UNBMPKNTYKDYCG-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dimethylbutylamine 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 1,3-Dimethylbutylamine (CAS 108-09-8) 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, 1,3-Dimethylbutylamine (CAS 108-09-8) has the molecular formula C6H15N and a molecular weight of 101.12 g/mol. Reported properties include a density of 0.75 at 68 °F (NTP, 1992) - Less dense than water; will float g/cm³. It is also known as 1,3-DIMETHYLBUTYLAMINE and 4-methylpentan-2-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 1,3-Dimethylbutylamine
Property Insights of 1,3-Dimethylbutylamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylbutylamine. With a topological polar surface area (TPSA) of 26.0 Ų, 1,3-Dimethylbutylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethylbutylamine 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 1,3-Dimethylbutylamine?
The CAS number of 1,3-Dimethylbutylamine is 108-09-8.
What is the molecular formula of 1,3-Dimethylbutylamine?
The molecular formula of 1,3-Dimethylbutylamine is C6H15N.
What is the molecular weight of 1,3-Dimethylbutylamine?
The molecular weight of 1,3-Dimethylbutylamine is 101.12045 g/mol.
What are the applications of 1,3-Dimethylbutylamine?
1,3-Dimethylbutylamine 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 1,3-Dimethylbutylamine (CAS...
Where can I buy 1,3-Dimethylbutylamine?
You can request a quote for 1,3-Dimethylbutylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dimethylbutylamine?
Yes, CoreyChem provides custom synthesis services for 1,3-Dimethylbutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.