2-Nitrosopropanedinitrile
TL;DR: 2-Nitrosopropanedinitrile (CAS 44549-28-2) is a chemical compound with molecular formula C3HN3O and molecular weight 95.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrosopropanedinitrile
Also Known As: 2-nitrosopropanedinitrile, Nitrosomalononitrile, 2-nitroso-malononitrile
| Molecular Formula | C3HN3O |
|---|---|
| Molecular Weight | 95.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 95.01196 |
| Heavy Atoms | 7 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 44549-28-2 |
|---|---|
| SMILES | C(#N)C(C#N)N=O |
| InChIKey | XJDFOQZVSOHAJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrosopropanedinitrile (CAS 44549-28-2), with molecular formula C3HN3O and molecular weight 95.01 g/mol. IUPAC: 2-nitrosopropanedinitrile.
Chemical Property Profile of 2-Nitrosopropanedinitrile
Property Insights of 2-Nitrosopropanedinitrile
The XLogP value of -0.5 indicates that 2-Nitrosopropanedinitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrosopropanedinitrile. Following Lipinski's Rule of Five, 2-Nitrosopropanedinitrile 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 2-Nitrosopropanedinitrile?
The CAS number of 2-Nitrosopropanedinitrile is 44549-28-2.
What is the molecular formula of 2-Nitrosopropanedinitrile?
The molecular formula of 2-Nitrosopropanedinitrile is C3HN3O.
What is the molecular weight of 2-Nitrosopropanedinitrile?
The molecular weight of 2-Nitrosopropanedinitrile is 95.01 g/mol.
Where can I buy 2-Nitrosopropanedinitrile?
You can request a quote for 2-Nitrosopropanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrosopropanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrosopropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.