异佛尔酮二胺
TL;DR: 异佛尔酮二胺 (CAS 2855-13-2) is a chemical compound with molecular formula C10H22N2 and molecular weight 170.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异佛尔酮二胺
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
Also Known As: Isophoronediamine, ISOPHORONE DIAMINE, Isophorondiamine, Vestamin IPD, Isoprone diamine
| Molecular Formula | C10H22N2 |
|---|---|
| Molecular Weight | 170.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.1783 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| Melting Point | 10.0 °C |
| Boiling Point | 247.2 °C at 760 mmHg |
| Density | 0.924 at 20.0 °C - Less dense than water; will float |
| Solubility | Solubility in water at 492 g/l at 23.8 °C: very soluble |
| Flash Point | 110.0 °C |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | 1.4880 @ 20 °C |
Chemical Identifiers
| CAS Number | 2855-13-2 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN)N)C |
| InChIKey | RNLHGQLZWXBQNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异佛尔酮二胺 (CAS 2855-13-2), with molecular formula C10H22N2 and molecular weight 170.18 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine.
Chemical Property Profile of 异佛尔酮二胺
Property Insights of 异佛尔酮二胺
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异佛尔酮二胺. With a topological polar surface area (TPSA) of 52.0 Ų, 异佛尔酮二胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异佛尔酮二胺 has 2 hydrogen bond donor(s) and 2 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 异佛尔酮二胺?
The CAS number of 异佛尔酮二胺 is 2855-13-2.
What is the molecular formula of 异佛尔酮二胺?
The molecular formula of 异佛尔酮二胺 is C10H22N2.
What is the molecular weight of 异佛尔酮二胺?
The molecular weight of 异佛尔酮二胺 is 170.18 g/mol.
Where can I buy 异佛尔酮二胺?
You can request a quote for 异佛尔酮二胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异佛尔酮二胺?
Yes, KEHONG BIO provides custom synthesis services for 异佛尔酮二胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.