n,n,3-Trimethyl-4-nitrosoaniline
TL;DR: n,n,3-Trimethyl-4-nitrosoaniline (CAS 3506-68-1) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,3-trimethyl-4-nitrosoaniline
Also Known As: n,n,3-trimethyl-4-nitrosoaniline, Benzenamine,n,n,3-trimethyl-4-nitroso-, 1-Nitroso-4-dimethylamino-2-methyl-benzol
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 3506-68-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(C)C)N=O |
| InChIKey | KICWKHOVWUGRGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n,n,3-Trimethyl-4-nitrosoaniline (CAS 3506-68-1), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: N,N,3-trimethyl-4-nitrosoaniline.
Chemical Property Profile of n,n,3-Trimethyl-4-nitrosoaniline
Property Insights of n,n,3-Trimethyl-4-nitrosoaniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n,n,3-Trimethyl-4-nitrosoaniline. With a topological polar surface area (TPSA) of 32.7 Ų, n,n,3-Trimethyl-4-nitrosoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n,n,3-Trimethyl-4-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,n,3-Trimethyl-4-nitrosoaniline?
The CAS number of n,n,3-Trimethyl-4-nitrosoaniline is 3506-68-1.
What is the molecular formula of n,n,3-Trimethyl-4-nitrosoaniline?
The molecular formula of n,n,3-Trimethyl-4-nitrosoaniline is C9H12N2O.
What is the molecular weight of n,n,3-Trimethyl-4-nitrosoaniline?
The molecular weight of n,n,3-Trimethyl-4-nitrosoaniline is 164.09 g/mol.
Where can I buy n,n,3-Trimethyl-4-nitrosoaniline?
You can request a quote for n,n,3-Trimethyl-4-nitrosoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n,n,3-Trimethyl-4-nitrosoaniline?
Yes, KEHONG BIO provides custom synthesis services for n,n,3-Trimethyl-4-nitrosoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.