2,4,4-Trimethyl-1,6-hexanediamine
TL;DR: 2,4,4-Trimethyl-1,6-hexanediamine (CAS 3236-54-2) is a chemical compound with molecular formula C9H22N2 and molecular weight 158.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylhexane-1,6-diamine
Also Known As: 2,4,4-Trimethylhexane-1,6-diamine, 2,4,4-Trimethyl-1,6-hexanediamine, 1,6-Hexanediamine, 2,4,4-trimethyl-, Trimethylhexamethylenediamine, 2,4,4-trimethylhexamethylenediamine
| Molecular Formula | C9H22N2 |
|---|---|
| Molecular Weight | 158.18 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.1783 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 3236-54-2 |
|---|---|
| SMILES | CC(CC(C)(C)CCN)CN |
| InChIKey | DPQHRXRAZHNGRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4-Trimethyl-1,6-hexanediamine (CAS 3236-54-2), with molecular formula C9H22N2 and molecular weight 158.18 g/mol. IUPAC: 2,4,4-trimethylhexane-1,6-diamine.
Chemical Property Profile of 2,4,4-Trimethyl-1,6-hexanediamine
Property Insights of 2,4,4-Trimethyl-1,6-hexanediamine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethyl-1,6-hexanediamine. With a topological polar surface area (TPSA) of 52.0 Ų, 2,4,4-Trimethyl-1,6-hexanediamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethyl-1,6-hexanediamine 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 2,4,4-Trimethyl-1,6-hexanediamine?
The CAS number of 2,4,4-Trimethyl-1,6-hexanediamine is 3236-54-2.
What is the molecular formula of 2,4,4-Trimethyl-1,6-hexanediamine?
The molecular formula of 2,4,4-Trimethyl-1,6-hexanediamine is C9H22N2.
What is the molecular weight of 2,4,4-Trimethyl-1,6-hexanediamine?
The molecular weight of 2,4,4-Trimethyl-1,6-hexanediamine is 158.18 g/mol.
Where can I buy 2,4,4-Trimethyl-1,6-hexanediamine?
You can request a quote for 2,4,4-Trimethyl-1,6-hexanediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethyl-1,6-hexanediamine?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethyl-1,6-hexanediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.