1,6-Hexamethyleneaminoisocyanate
TL;DR: 1,6-Hexamethyleneaminoisocyanate (CAS 95566-41-9) is a chemical compound with molecular formula C7H14N2O and molecular weight 142.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-isocyanatohexan-1-amine
Also Known As: 6-isocyanatohexan-1-amine, 1,6-Hexamethyleneaminoisocyanate, 1-Hexanamine, 6-isocyanato-, RefChem:73623
| Molecular Formula | C7H14N2O |
|---|---|
| Molecular Weight | 142.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 142.11061 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 95566-41-9 |
|---|---|
| SMILES | C(CCCN=C=O)CCN |
| InChIKey | WKOZVZPXSAEOMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Hexamethyleneaminoisocyanate (CAS 95566-41-9), with molecular formula C7H14N2O and molecular weight 142.11 g/mol. IUPAC: 6-isocyanatohexan-1-amine.
Chemical Property Profile of 1,6-Hexamethyleneaminoisocyanate
Property Insights of 1,6-Hexamethyleneaminoisocyanate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Hexamethyleneaminoisocyanate. With a topological polar surface area (TPSA) of 55.5 Ų, 1,6-Hexamethyleneaminoisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Hexamethyleneaminoisocyanate has 1 hydrogen bond donor(s) and 3 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 1,6-Hexamethyleneaminoisocyanate?
The CAS number of 1,6-Hexamethyleneaminoisocyanate is 95566-41-9.
What is the molecular formula of 1,6-Hexamethyleneaminoisocyanate?
The molecular formula of 1,6-Hexamethyleneaminoisocyanate is C7H14N2O.
What is the molecular weight of 1,6-Hexamethyleneaminoisocyanate?
The molecular weight of 1,6-Hexamethyleneaminoisocyanate is 142.11 g/mol.
Where can I buy 1,6-Hexamethyleneaminoisocyanate?
You can request a quote for 1,6-Hexamethyleneaminoisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Hexamethyleneaminoisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Hexamethyleneaminoisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.