N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine
TL;DR: N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine (CAS 98736-48-2) is a chemical compound with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]nitrous amide
Also Known As: c(ACC-L-Phe), NIOSH/DP6370000, Methyl[3-(trifluoromethyl)benzyl]nitrosamine, N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine, N-Nitroso-N-(m-trifluoromethylbenzyl)methylamine
| Molecular Formula | C9H9F3N2O |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0667 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 98736-48-2 |
|---|---|
| SMILES | CN(CC1=CC(=CC=C1)C(F)(F)F)N=O |
| InChIKey | WPZHPVZYKDCUQT-UHFFFAOYSA-N |
Product Overview
N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine (CAS 98736-48-2), with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol. IUPAC: N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]nitrous amide.
Chemical Property Profile of N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine
Property Insights of N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine. With a topological polar surface area (TPSA) of 32.7 Ų, N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine has 0 hydrogen bond donor(s) and 6 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-(3-trifluoromethylbenzyl)methylamine?
The CAS number of N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine is 98736-48-2.
What is the molecular formula of N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine?
The molecular formula of N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine is C9H9F3N2O.
What is the molecular weight of N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine?
The molecular weight of N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine is 218.07 g/mol.
Where can I buy N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine?
You can request a quote for N-Nitroso-N-(3-trifluoromethylbenzyl)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-(3-trifluoromethylbenzyl)methylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(3-trifluoromethylbenzyl)methylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.