N-methyl-4-nitrophenethylamine
TL;DR: N-methyl-4-nitrophenethylamine (CAS 166943-39-1) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-2-(4-nitrophenyl)ethanamine
Also Known As: N-methyl-4-nitrophenethylamine, N-methyl-2-(4-nitrophenyl)ethanamine, N-METHYL-[2-(4-NITRO-PHENYL)-ETHYL]-AMINE, methyl[2-(4-nitrophenyl)ethyl]amine, methyl2-(4-nitrophenyl)ethylamine
Technical Specifications
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
| SMILES | CNCCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | PTPPVTUXJDJAGY-UHFFFAOYSA-N |
Chemical Property Profile of N-methyl-4-nitrophenethylamine
Property Insights of N-methyl-4-nitrophenethylamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-4-nitrophenethylamine. With a topological polar surface area (TPSA) of 57.9 Ų, N-methyl-4-nitrophenethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-4-nitrophenethylamine has 1 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-methyl-4-nitrophenethylamine?
The CAS number of N-methyl-4-nitrophenethylamine is 166943-39-1.
What is the molecular formula of N-methyl-4-nitrophenethylamine?
The molecular formula of N-methyl-4-nitrophenethylamine is C9H12N2O2.
What is the molecular weight of N-methyl-4-nitrophenethylamine?
The molecular weight of N-methyl-4-nitrophenethylamine is 180.08987 g/mol.
Where can I buy N-methyl-4-nitrophenethylamine?
You can request a quote for N-methyl-4-nitrophenethylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methyl-4-nitrophenethylamine?
Yes, CoreyChem provides custom synthesis services for N-methyl-4-nitrophenethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.