N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine
TL;DR: N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine (CAS 55875-42-8) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,3-trimethyl-4-(2-nitroprop-1-enyl)aniline
Also Known As: N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine, N,N,3-trimethyl-4-(2-nitroprop-1-enyl)aniline, N,N,3-trimethyl-4-(2-nitroprop-1-en-1-yl)aniline, Benzenamine, N,N,3-trimethyl-4-(2-nitro-1-propenyl)-, N,N,3-Trimethyl-4-(2-nitro-1-propen-1-yl)benzenamine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16N2O2 |
| Molecular Weight | 220.12119 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.12119 Da |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
| SMILES | CC1=C(C=CC(=C1)N(C)C)C=C(C)[N+](=O)[O-] |
| InChIKey | JVMSKGOQBHOVAB-UHFFFAOYSA-N |
Chemical Property Profile of N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine
Property Insights of N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine
The XLogP value of 3.0 indicates that N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine 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-(2-nitro-1-propenyl)-m-toluidine?
The CAS number of N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine is 55875-42-8.
What is the molecular formula of N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine?
The molecular formula of N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine is C12H16N2O2.
What is the molecular weight of N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine?
The molecular weight of N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine is 220.12119 g/mol.
Where can I buy N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine?
You can request a quote for N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine?
Yes, CoreyChem provides custom synthesis services for N,N-Dimethyl-4-(2-nitro-1-propenyl)-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.