N-Nitroso-N-(p-cyanobenzyl)methylamine
TL;DR: N-Nitroso-N-(p-cyanobenzyl)methylamine (CAS 84174-23-2) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-cyanophenyl)methyl]-N-methylnitrous amide
Also Known As: p-[ methyl]benzonitrile, N-Nitroso-N-(p-cyanobenzyl)methylamine, N-Nitroso-N-(4-cyanobenzyl)methylamine, p-((Methylnitrosamino)methyl)benzonitrile, N-Nitrosomethyl-4-fluorobenzylamine
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 84174-23-2 |
|---|---|
| SMILES | CN(CC1=CC=C(C=C1)C#N)N=O |
| InChIKey | QBSLDCANAUJINC-UHFFFAOYSA-N |
Product Overview
N-Nitroso-N-(p-cyanobenzyl)methylamine (CAS 84174-23-2), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: N-[(4-cyanophenyl)methyl]-N-methylnitrous amide.
Chemical Property Profile of N-Nitroso-N-(p-cyanobenzyl)methylamine
Property Insights of N-Nitroso-N-(p-cyanobenzyl)methylamine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(p-cyanobenzyl)methylamine. With a topological polar surface area (TPSA) of 56.5 Ų, N-Nitroso-N-(p-cyanobenzyl)methylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-(p-cyanobenzyl)methylamine 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 N-Nitroso-N-(p-cyanobenzyl)methylamine?
The CAS number of N-Nitroso-N-(p-cyanobenzyl)methylamine is 84174-23-2.
What is the molecular formula of N-Nitroso-N-(p-cyanobenzyl)methylamine?
The molecular formula of N-Nitroso-N-(p-cyanobenzyl)methylamine is C9H9N3O.
What is the molecular weight of N-Nitroso-N-(p-cyanobenzyl)methylamine?
The molecular weight of N-Nitroso-N-(p-cyanobenzyl)methylamine is 175.07 g/mol.
Where can I buy N-Nitroso-N-(p-cyanobenzyl)methylamine?
You can request a quote for N-Nitroso-N-(p-cyanobenzyl)methylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitroso-N-(p-cyanobenzyl)methylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(p-cyanobenzyl)methylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.