3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈
TL;DR: 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 (CAS 4784-14-9) is a chemical compound with molecular formula C6H8N6 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈
3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile
Also Known As: b-CYANOPROPIOGUANAMINE, NCIOpen2_000210, BETA-CYANOPROPIOGUANAMINE, 3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile, 4,6-Diamino-1,3,5-triazine-2-propionitrile
| Molecular Formula | C6H8N6 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08104 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 4784-14-9 |
|---|---|
| SMILES | C(CC1=NC(=NC(=N1)N)N)C#N |
| InChIKey | WKDLAFCZWQWJGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 (CAS 4784-14-9), with molecular formula C6H8N6 and molecular weight 164.08 g/mol. IUPAC: 3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile.
Chemical Property Profile of 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈
Property Insights of 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈
The XLogP value of -0.7 indicates that 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈. Following Lipinski's Rule of Five, 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 has 2 hydrogen bond donor(s) and 6 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 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈?
The CAS number of 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 is 4784-14-9.
What is the molecular formula of 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈?
The molecular formula of 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 is C6H8N6.
What is the molecular weight of 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈?
The molecular weight of 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 is 164.08 g/mol.
Where can I buy 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈?
You can request a quote for 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,6-二氨基-1,3,5-三嗪-2-基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.