三异丁胺
TL;DR: 三异丁胺 (CAS 1116-40-1) is a chemical compound with molecular formula C12H27N and molecular weight 185.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三异丁胺
2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
Also Known As: TRIISOBUTYLAMINE, triisobutylamin, triisobutyl-amine, tris(2-methylpropyl)amine, (tri-iso-butyl)amine
| Molecular Formula | C12H27N |
|---|---|
| Molecular Weight | 185.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 185.21436 |
| Heavy Atoms | 13 |
| Complexity | 92.0 |
| Melting Point | -21.8 °C |
| Boiling Point | 191.5 °C at 760 mmHg |
| Density | 0.7864 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 51.3 °C |
Chemical Identifiers
| CAS Number | 1116-40-1 |
|---|---|
| SMILES | CC(C)CN(CC(C)C)CC(C)C |
| InChIKey | IIFFFBSAXDNJHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三异丁胺 (CAS 1116-40-1), with molecular formula C12H27N and molecular weight 185.21 g/mol. IUPAC: 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine.
Chemical Property Profile of 三异丁胺
Property Insights of 三异丁胺
The XLogP value of 4.3 indicates that 三异丁胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 三异丁胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三异丁胺 has 0 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 三异丁胺?
The CAS number of 三异丁胺 is 1116-40-1.
What is the molecular formula of 三异丁胺?
The molecular formula of 三异丁胺 is C12H27N.
What is the molecular weight of 三异丁胺?
The molecular weight of 三异丁胺 is 185.21 g/mol.
Where can I buy 三异丁胺?
You can request a quote for 三异丁胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三异丁胺?
Yes, KEHONG BIO provides custom synthesis services for 三异丁胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.