DI-Sec-butylamine
TL;DR: DI-Sec-butylamine (CAS 626-23-3) 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.
N-butan-2-ylbutan-2-amine
Also Known As: DI-SEC-BUTYLAMINE, Diisobutylamine, MPBA, Di-sec.-butylamine, di-s-butylamine
| Molecular Formula | C8H19N |
|---|---|
| Molecular Weight | 129.15 g/mol |
| LogP | 2.4 |
| 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 | 53.0 |
Chemical Identifiers
| CAS Number | 626-23-3 |
|---|---|
| SMILES | CCC(C)NC(C)CC |
| InChIKey | OBYVIBDTOCAXSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DI-Sec-butylamine (CAS 626-23-3), with molecular formula C8H19N and molecular weight 129.15 g/mol. IUPAC: N-butan-2-ylbutan-2-amine.
Chemical Property Profile of DI-Sec-butylamine
Property Insights of DI-Sec-butylamine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DI-Sec-butylamine. With a topological polar surface area (TPSA) of 12.0 Ų, DI-Sec-butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DI-Sec-butylamine 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 DI-Sec-butylamine?
The CAS number of DI-Sec-butylamine is 626-23-3.
What is the molecular formula of DI-Sec-butylamine?
The molecular formula of DI-Sec-butylamine is C8H19N.
What is the molecular weight of DI-Sec-butylamine?
The molecular weight of DI-Sec-butylamine is 129.15 g/mol.
Where can I buy DI-Sec-butylamine?
You can request a quote for DI-Sec-butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DI-Sec-butylamine?
Yes, KEHONG BIO provides custom synthesis services for DI-Sec-butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.