N,N-dimethyl-4-nitrosoaniline
TL;DR: N,N-dimethyl-4-nitrosoaniline (CAS 138-89-6) is a chemical compound with molecular formula C8H10N2O and molecular weight 150.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-4-nitrosoaniline
Also Known As: N,N-Dimethyl-4-nitrosoaniline, Accelerine, NDMA, 4-Nitrosodimethylaniline, p-Nitroso-N,N-dimethylaniline
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10N2O |
| Molecular Weight | 150.07932 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.07932 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| Melting Point | 198.5 to 200.3 °F (NTP, 1992) |
| Density | 1.145 (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.4 [mmHg] |
| Solubility | less than 0.1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CN(C)C1=CC=C(C=C1)N=O |
| InChIKey | CMEWLCATCRTSGF-UHFFFAOYSA-N |
Product Description
Applications: N,N-dimethyl-4-nitrosoaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N,N-dimethyl-4-nitrosoaniline (CAS 138-89-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, N,N-dimethyl-4-nitrosoaniline (CAS 138-89-6) has the molecular formula C8H10N2O and a molecular weight of 150.08 g/mol. Reported properties include a density of 1.145 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 70 °F (NTP, 1992). It is also known as N,N-Dimethyl-4-nitrosoaniline and Accelerine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N,N-dimethyl-4-nitrosoaniline
Property Insights of N,N-dimethyl-4-nitrosoaniline
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-4-nitrosoaniline. With a topological polar surface area (TPSA) of 32.7 Ų, N,N-dimethyl-4-nitrosoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-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
What is the CAS number of N,N-dimethyl-4-nitrosoaniline?
The CAS number of N,N-dimethyl-4-nitrosoaniline is 138-89-6.
What is the molecular formula of N,N-dimethyl-4-nitrosoaniline?
The molecular formula of N,N-dimethyl-4-nitrosoaniline is C8H10N2O.
What is the molecular weight of N,N-dimethyl-4-nitrosoaniline?
The molecular weight of N,N-dimethyl-4-nitrosoaniline is 150.07932 g/mol.
What are the applications of N,N-dimethyl-4-nitrosoaniline?
N,N-dimethyl-4-nitrosoaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy N,N-dimethyl-4-nitrosoaniline?
You can request a quote for N,N-dimethyl-4-nitrosoaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-dimethyl-4-nitrosoaniline?
Yes, CoreyChem provides custom synthesis services for N,N-dimethyl-4-nitrosoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.