N,N,N-Trimethyl-3-nitroanilinium
TL;DR: N,N,N-Trimethyl-3-nitroanilinium (CAS 51570-70-8) is a chemical compound with molecular formula C9H13N2O2+ and molecular weight 181.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-(3-nitrophenyl)azanium
Also Known As: Trimethyl-(3-nitrophenyl)azanium, N,N,N-Trimethyl-3-nitroanilinium, Trimethyl(3-nitrophenyl)aminium, N,N,N-Trimethyl-3-nitrobenzenaminium, Benzenaminium, N,N,N-trimethyl-3-nitro-
| Molecular Formula | C9H13N2O2+ |
|---|---|
| Molecular Weight | 181.10 g/mol |
| LogP | 1.7915 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0977 |
| Heavy Atoms | 13 |
| Complexity | 328.63174 |
Chemical Identifiers
| CAS Number | 51570-70-8 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC=CC(=C1)[N+](=O)[O-] |
Product Overview
N,N,N-Trimethyl-3-nitroanilinium (CAS 51570-70-8), with molecular formula C9H13N2O2+ and molecular weight 181.10 g/mol. IUPAC: trimethyl-(3-nitrophenyl)azanium.
Chemical Property Profile of N,N,N-Trimethyl-3-nitroanilinium
Property Insights of N,N,N-Trimethyl-3-nitroanilinium
The XLogP value of 1.7915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Trimethyl-3-nitroanilinium. With a topological polar surface area (TPSA) of 43.14 Ų, N,N,N-Trimethyl-3-nitroanilinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Trimethyl-3-nitroanilinium has 0 hydrogen bond donor(s) and 2 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,N-Trimethyl-3-nitroanilinium?
The CAS number of N,N,N-Trimethyl-3-nitroanilinium is 51570-70-8.
What is the molecular formula of N,N,N-Trimethyl-3-nitroanilinium?
The molecular formula of N,N,N-Trimethyl-3-nitroanilinium is C9H13N2O2+.
What is the molecular weight of N,N,N-Trimethyl-3-nitroanilinium?
The molecular weight of N,N,N-Trimethyl-3-nitroanilinium is 181.10 g/mol.
Where can I buy N,N,N-Trimethyl-3-nitroanilinium?
You can request a quote for N,N,N-Trimethyl-3-nitroanilinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trimethyl-3-nitroanilinium?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trimethyl-3-nitroanilinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.