氨三乙腈
TL;DR: 氨三乙腈 (CAS 7327-60-8) is a chemical compound with molecular formula C6H6N4 and molecular weight 134.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氨三乙腈
2-[bis(cyanomethyl)amino]acetonitrile
Also Known As: Nitrilotriacetonitrile, Nitrilotrisacetonitrile, Acetonitrile, nitrilotri-, 2,2',2''-nitrilotriacetonitrile, 2,2',2''-Nitrilotrisacetonitrile
| Molecular Formula | C6H6N4 |
|---|---|
| Molecular Weight | 134.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.05925 |
| Heavy Atoms | 10 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 7327-60-8 |
|---|---|
| SMILES | C(C#N)N(CC#N)CC#N |
| InChIKey | LJAIDEYQVIJERM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氨三乙腈 (CAS 7327-60-8), with molecular formula C6H6N4 and molecular weight 134.06 g/mol. IUPAC: 2-[bis(cyanomethyl)amino]acetonitrile.
Chemical Property Profile of 氨三乙腈
Property Insights of 氨三乙腈
The XLogP value of -0.4 indicates that 氨三乙腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氨三乙腈. Following Lipinski's Rule of Five, 氨三乙腈 has 0 hydrogen bond donor(s) and 4 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 氨三乙腈?
The CAS number of 氨三乙腈 is 7327-60-8.
What is the molecular formula of 氨三乙腈?
The molecular formula of 氨三乙腈 is C6H6N4.
What is the molecular weight of 氨三乙腈?
The molecular weight of 氨三乙腈 is 134.06 g/mol.
Where can I buy 氨三乙腈?
You can request a quote for 氨三乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氨三乙腈?
Yes, KEHONG BIO provides custom synthesis services for 氨三乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.