![2-[Methyl(nitroso)amino]benzonitrile structure](/static/products/3009/30091-22-6.webp)
2-[Methyl(nitroso)amino]benzonitrile
TL;DR: 2-[Methyl(nitroso)amino]benzonitrile (CAS 30091-22-6) is a chemical compound with molecular formula C8H7N3O and molecular weight 161.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-N-methylnitrous amide
Also Known As: 2-[METHYL(NITROSO)AMINO]BENZONITRILE, 2-(1-Methyl-2-oxohydrazino)benzonitrile, 2-(N-Methyl-N-nitrosoamino)benzonitrile, N-(2-cyanophenyl)-N-methylnitrous amide, 2-(1-Methyl-2-oxohydrazino)benzonitrile #
| Molecular Formula | C8H7N3O |
|---|---|
| Molecular Weight | 161.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.05891 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 30091-22-6 |
|---|---|
| SMILES | CN(C1=CC=CC=C1C#N)N=O |
| InChIKey | WAOBBRGOPVKNSQ-UHFFFAOYSA-N |
Product Overview
2-[Methyl(nitroso)amino]benzonitrile (CAS 30091-22-6), with molecular formula C8H7N3O and molecular weight 161.06 g/mol. IUPAC: N-(2-cyanophenyl)-N-methylnitrous amide.
Chemical Property Profile of 2-[Methyl(nitroso)amino]benzonitrile
Property Insights of 2-[Methyl(nitroso)amino]benzonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Methyl(nitroso)amino]benzonitrile. With a topological polar surface area (TPSA) of 56.5 Ų, 2-[Methyl(nitroso)amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Methyl(nitroso)amino]benzonitrile 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-[Methyl(nitroso)amino]benzonitrile?
The CAS number of 2-[Methyl(nitroso)amino]benzonitrile is 30091-22-6.
What is the molecular formula of 2-[Methyl(nitroso)amino]benzonitrile?
The molecular formula of 2-[Methyl(nitroso)amino]benzonitrile is C8H7N3O.
What is the molecular weight of 2-[Methyl(nitroso)amino]benzonitrile?
The molecular weight of 2-[Methyl(nitroso)amino]benzonitrile is 161.06 g/mol.
Where can I buy 2-[Methyl(nitroso)amino]benzonitrile?
You can request a quote for 2-[Methyl(nitroso)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Methyl(nitroso)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Methyl(nitroso)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.