Propanenitrile, 2-methyl-2-nitroso-
TL;DR: Propanenitrile, 2-methyl-2-nitroso- (CAS 44513-62-4) is a chemical compound with molecular formula C4H6N2O and molecular weight 98.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-nitrosopropanenitrile
Also Known As: 2-cyano-2-nitrosopropane, Propanenitrile, 2-methyl-2-nitroso-, 2-methyl-2-nitrosopropanenitrile, 2-methyl-2-nitroso-propanenitrile, 2-Nitroso-2-methylpropanenitrile
| Molecular Formula | C4H6N2O |
|---|---|
| Molecular Weight | 98.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.04801 |
| Heavy Atoms | 7 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 44513-62-4 |
|---|---|
| SMILES | CC(C)(C#N)N=O |
| InChIKey | DVKPTPWQEAHZCT-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 2-methyl-2-nitroso- (CAS 44513-62-4), with molecular formula C4H6N2O and molecular weight 98.05 g/mol. IUPAC: 2-methyl-2-nitrosopropanenitrile.
Chemical Property Profile of Propanenitrile, 2-methyl-2-nitroso-
Property Insights of Propanenitrile, 2-methyl-2-nitroso-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 2-methyl-2-nitroso-. With a topological polar surface area (TPSA) of 53.2 Ų, Propanenitrile, 2-methyl-2-nitroso- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanenitrile, 2-methyl-2-nitroso- has 0 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 Propanenitrile, 2-methyl-2-nitroso-?
The CAS number of Propanenitrile, 2-methyl-2-nitroso- is 44513-62-4.
What is the molecular formula of Propanenitrile, 2-methyl-2-nitroso-?
The molecular formula of Propanenitrile, 2-methyl-2-nitroso- is C4H6N2O.
What is the molecular weight of Propanenitrile, 2-methyl-2-nitroso-?
The molecular weight of Propanenitrile, 2-methyl-2-nitroso- is 98.05 g/mol.
Where can I buy Propanenitrile, 2-methyl-2-nitroso-?
You can request a quote for Propanenitrile, 2-methyl-2-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 2-methyl-2-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 2-methyl-2-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.