2-Amino-1-propene-1,1,3-tricarbonitrile
TL;DR: 2-Amino-1-propene-1,1,3-tricarbonitrile (CAS 868-54-2) is a chemical compound with molecular formula C6H4N4 and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoprop-1-ene-1,1,3-tricarbonitrile
Also Known As: Malononitrile dimer, 2-aminoprop-1-ene-1,1,3-tricarbonitrile, 2-Amino-1-propene-1,1,3-tricarbonitrile, Upjohn 9189, TRIAP
| Molecular Formula | C6H4N4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.0436 |
| Heavy Atoms | 10 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 868-54-2 |
|---|---|
| SMILES | C(C#N)C(=C(C#N)C#N)N |
| InChIKey | BNHGNFYPZNDLAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-1-propene-1,1,3-tricarbonitrile (CAS 868-54-2), with molecular formula C6H4N4 and molecular weight 132.04 g/mol. IUPAC: 2-aminoprop-1-ene-1,1,3-tricarbonitrile.
Chemical Property Profile of 2-Amino-1-propene-1,1,3-tricarbonitrile
Property Insights of 2-Amino-1-propene-1,1,3-tricarbonitrile
The XLogP value of -0.1 indicates that 2-Amino-1-propene-1,1,3-tricarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-propene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-Amino-1-propene-1,1,3-tricarbonitrile has 1 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 2-Amino-1-propene-1,1,3-tricarbonitrile?
The CAS number of 2-Amino-1-propene-1,1,3-tricarbonitrile is 868-54-2.
What is the molecular formula of 2-Amino-1-propene-1,1,3-tricarbonitrile?
The molecular formula of 2-Amino-1-propene-1,1,3-tricarbonitrile is C6H4N4.
What is the molecular weight of 2-Amino-1-propene-1,1,3-tricarbonitrile?
The molecular weight of 2-Amino-1-propene-1,1,3-tricarbonitrile is 132.04 g/mol.
Where can I buy 2-Amino-1-propene-1,1,3-tricarbonitrile?
You can request a quote for 2-Amino-1-propene-1,1,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-propene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-propene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.