N-Nitroso-N-ethylaniline
TL;DR: N-Nitroso-N-ethylaniline (CAS 612-64-6) is a chemical compound with molecular formula C8H10N2O and molecular weight 150.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-phenylnitrous amide
Also Known As: N-Nitroso-N-ethylaniline, N-Ethyl-N-nitrosoaniline, Ethylnitrosoaniline, Nitrosoethylaniline, Nitrosoethylphenylamine
| Molecular Formula | C8H10N2O |
|---|---|
| Molecular Weight | 150.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.07932 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
| Boiling Point | 130.0 °C at 760 mmHg |
| Density | 1.0874 |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 612-64-6 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)N=O |
| InChIKey | WXRXVZXYLBWKRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Nitroso-N-ethylaniline (CAS 612-64-6), with molecular formula C8H10N2O and molecular weight 150.08 g/mol. IUPAC: N-ethyl-N-phenylnitrous amide.
Chemical Property Profile of N-Nitroso-N-ethylaniline
Property Insights of N-Nitroso-N-ethylaniline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-ethylaniline. With a topological polar surface area (TPSA) of 32.7 Ų, N-Nitroso-N-ethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Nitroso-N-ethylaniline 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-ethylaniline?
The CAS number of N-Nitroso-N-ethylaniline is 612-64-6.
What is the molecular formula of N-Nitroso-N-ethylaniline?
The molecular formula of N-Nitroso-N-ethylaniline is C8H10N2O.
What is the molecular weight of N-Nitroso-N-ethylaniline?
The molecular weight of N-Nitroso-N-ethylaniline is 150.08 g/mol.
Where can I buy N-Nitroso-N-ethylaniline?
You can request a quote for N-Nitroso-N-ethylaniline 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-ethylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-ethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.