N-Nitroso-N-(3-chlorobenzyl)methylamine
TL;DR: N-Nitroso-N-(3-chlorobenzyl)methylamine (CAS 98736-46-0) is a chemical compound with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-N-methylnitrous amide
Also Known As: N-Nitroso-N-(3-chlorobenzyl)methylamine, NIOSH/DP4031200, (3-Chlorobenzyl)methylnitrosamine, m-Chloro-N-methyl-N-nitrosobenzylamine, N-Nitroso-N-(m-chlorobenzyl)methylamine
| Molecular Formula | C8H9ClN2O |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04034 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 98736-46-0 |
|---|---|
| SMILES | CN(CC1=CC(=CC=C1)Cl)N=O |
| InChIKey | YALMLCXXHQHFJI-UHFFFAOYSA-N |
Product Overview
N-Nitroso-N-(3-chlorobenzyl)methylamine (CAS 98736-46-0), with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-N-methylnitrous amide.
Chemical Property Profile of N-Nitroso-N-(3-chlorobenzyl)methylamine
Property Insights of N-Nitroso-N-(3-chlorobenzyl)methylamine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-(3-chlorobenzyl)methylamine. With a topological polar surface area (TPSA) of 32.7 Ų, N-Nitroso-N-(3-chlorobenzyl)methylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-(3-chlorobenzyl)methylamine 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 N-Nitroso-N-(3-chlorobenzyl)methylamine?
The CAS number of N-Nitroso-N-(3-chlorobenzyl)methylamine is 98736-46-0.
What is the molecular formula of N-Nitroso-N-(3-chlorobenzyl)methylamine?
The molecular formula of N-Nitroso-N-(3-chlorobenzyl)methylamine is C8H9ClN2O.
What is the molecular weight of N-Nitroso-N-(3-chlorobenzyl)methylamine?
The molecular weight of N-Nitroso-N-(3-chlorobenzyl)methylamine is 184.04 g/mol.
Where can I buy N-Nitroso-N-(3-chlorobenzyl)methylamine?
You can request a quote for N-Nitroso-N-(3-chlorobenzyl)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-chlorobenzyl)methylamine?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-(3-chlorobenzyl)methylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.