m-Methoxy-N-methyl-N-nitrosobenzylamine
TL;DR: m-Methoxy-N-methyl-N-nitrosobenzylamine (CAS 98736-45-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methoxyphenyl)methyl]-N-methylnitrous amide
Also Known As: m-Methoxy-N-methyl-N-nitrosobenzylamine, NIOSH/DP5604000, (3-Methoxybenzyl)methylnitrosamine, N-Nitroso-N-(m-methoxybenzyl)methylamine, N-Nitroso-N-(3-methoxybenzyl)methylamine
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 98736-45-9 |
|---|---|
| SMILES | CN(CC1=CC(=CC=C1)OC)N=O |
| InChIKey | GQQNTMRGVGLAHB-UHFFFAOYSA-N |
Product Overview
m-Methoxy-N-methyl-N-nitrosobenzylamine (CAS 98736-45-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N-[(3-methoxyphenyl)methyl]-N-methylnitrous amide.
Chemical Property Profile of m-Methoxy-N-methyl-N-nitrosobenzylamine
Property Insights of m-Methoxy-N-methyl-N-nitrosobenzylamine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Methoxy-N-methyl-N-nitrosobenzylamine. With a topological polar surface area (TPSA) of 41.9 Ų, m-Methoxy-N-methyl-N-nitrosobenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Methoxy-N-methyl-N-nitrosobenzylamine 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 m-Methoxy-N-methyl-N-nitrosobenzylamine?
The CAS number of m-Methoxy-N-methyl-N-nitrosobenzylamine is 98736-45-9.
What is the molecular formula of m-Methoxy-N-methyl-N-nitrosobenzylamine?
The molecular formula of m-Methoxy-N-methyl-N-nitrosobenzylamine is C9H12N2O2.
What is the molecular weight of m-Methoxy-N-methyl-N-nitrosobenzylamine?
The molecular weight of m-Methoxy-N-methyl-N-nitrosobenzylamine is 180.09 g/mol.
Where can I buy m-Methoxy-N-methyl-N-nitrosobenzylamine?
You can request a quote for m-Methoxy-N-methyl-N-nitrosobenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Methoxy-N-methyl-N-nitrosobenzylamine?
Yes, KEHONG BIO provides custom synthesis services for m-Methoxy-N-methyl-N-nitrosobenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.