Aminomalononitrile
TL;DR: Aminomalononitrile (CAS 5181-05-5) is a chemical compound with molecular formula C3H3N3 and molecular weight 81.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminopropanedinitrile
Also Known As: Aminomalononitrile, 2-aminopropanedinitrile, 2-aminomalononitrile, Propanedinitrile, amino-, amino-propanedinitrile
| Molecular Formula | C3H3N3 |
|---|---|
| Molecular Weight | 81.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 81.0327 |
| Heavy Atoms | 6 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 5181-05-5 |
|---|---|
| SMILES | C(#N)C(C#N)N |
| InChIKey | GXDKXRIMUVUELI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminomalononitrile (CAS 5181-05-5), with molecular formula C3H3N3 and molecular weight 81.03 g/mol. IUPAC: 2-aminopropanedinitrile.
Chemical Property Profile of Aminomalononitrile
Property Insights of Aminomalononitrile
The XLogP value of -0.9 indicates that Aminomalononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Aminomalononitrile. Following Lipinski's Rule of Five, Aminomalononitrile 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 Aminomalononitrile?
The CAS number of Aminomalononitrile is 5181-05-5.
What is the molecular formula of Aminomalononitrile?
The molecular formula of Aminomalononitrile is C3H3N3.
What is the molecular weight of Aminomalononitrile?
The molecular weight of Aminomalononitrile is 81.03 g/mol.
Where can I buy Aminomalononitrile?
You can request a quote for Aminomalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminomalononitrile?
Yes, KEHONG BIO provides custom synthesis services for Aminomalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.