N-异丁基-1-丁胺
TL;DR: N-异丁基-1-丁胺 (CAS 20810-06-4) 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-异丁基-1-丁胺
N-(2-methylpropyl)butan-1-amine
Also Known As: N-Isobutylbutylamine, Butylisobutyl amine, butyl isobutyl amine, 1-Butanamine, N-(2-methylpropyl)-, Butyl-isobutyl-amin
| 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 | 5 |
| Exact Mass | 129.15175 |
| Heavy Atoms | 9 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 20810-06-4 |
|---|---|
| SMILES | CCCCNCC(C)C |
| InChIKey | CCRUHKGZAQXBKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-异丁基-1-丁胺 (CAS 20810-06-4), with molecular formula C8H19N and molecular weight 129.15 g/mol. IUPAC: N-(2-methylpropyl)butan-1-amine.
Chemical Property Profile of N-异丁基-1-丁胺
Property Insights of N-异丁基-1-丁胺
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-异丁基-1-丁胺. With a topological polar surface area (TPSA) of 12.0 Ų, N-异丁基-1-丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-异丁基-1-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 N-异丁基-1-丁胺?
The CAS number of N-异丁基-1-丁胺 is 20810-06-4.
What is the molecular formula of N-异丁基-1-丁胺?
The molecular formula of N-异丁基-1-丁胺 is C8H19N.
What is the molecular weight of N-异丁基-1-丁胺?
The molecular weight of N-异丁基-1-丁胺 is 129.15 g/mol.
Where can I buy N-异丁基-1-丁胺?
You can request a quote for N-异丁基-1-丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-异丁基-1-丁胺?
Yes, KEHONG BIO provides custom synthesis services for N-异丁基-1-丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.