N-Methyl-N-nitrosoaniline
TL;DR: N-Methyl-N-nitrosoaniline (CAS 614-00-6) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-phenylnitrous amide
Also Known As: N-Nitroso-N-methylaniline, N-Methyl-N-nitrosoaniline, Nitrosomethylaniline, Phenylmethylnitrosamine, Methylnitrosoaniline
| Molecular Formula | C7H8N2O |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.06366 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
| Melting Point | 14.7 °C |
| Boiling Point | 225 °C, decomp |
| Density | 1.1240 g/cu cm @ 20 °C |
| Solubility | Insoluble in water; soluble in ethanol and ethyl ether |
| Vapor Pressure | 0.15 [mmHg] |
| Refractive Index | Index of refractive = 1.5769 @ 20 °C |
Chemical Identifiers
| CAS Number | 614-00-6 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)N=O |
| InChIKey | MAXCWSIJKVASQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-N-nitrosoaniline (CAS 614-00-6), with molecular formula C7H8N2O and molecular weight 136.06 g/mol. IUPAC: N-methyl-N-phenylnitrous amide.
Chemical Property Profile of N-Methyl-N-nitrosoaniline
Property Insights of N-Methyl-N-nitrosoaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N-nitrosoaniline. With a topological polar surface area (TPSA) of 32.7 Ų, N-Methyl-N-nitrosoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N-nitrosoaniline 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-Methyl-N-nitrosoaniline?
The CAS number of N-Methyl-N-nitrosoaniline is 614-00-6.
What is the molecular formula of N-Methyl-N-nitrosoaniline?
The molecular formula of N-Methyl-N-nitrosoaniline is C7H8N2O.
What is the molecular weight of N-Methyl-N-nitrosoaniline?
The molecular weight of N-Methyl-N-nitrosoaniline is 136.06 g/mol.
Where can I buy N-Methyl-N-nitrosoaniline?
You can request a quote for N-Methyl-N-nitrosoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-nitrosoaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-nitrosoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.