Benzenemethanaminium, N,N,N-trimethyl-4-nitro-
TL;DR: Benzenemethanaminium, N,N,N-trimethyl-4-nitro- (CAS 46338-52-7) is a chemical compound with molecular formula C10H15N2O2+ and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[(4-nitrophenyl)methyl]azanium
Also Known As: 4-Nitrobenzyltrimethylaminium, (4-Nitrobenzyl)trimethylaminium, Benzenemethanaminium, N,N,N-trimethyl-4-nitro-, trimethyl-[(4-nitrophenyl)methyl]azanium, Benzenemethanaminium,N,N,N-trimethyl-4-nitro
| Molecular Formula | C10H15N2O2+ |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.11336 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 46338-52-7 |
|---|---|
| SMILES | C[N+](C)(C)CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | JSDLOLMVNKROEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanaminium, N,N,N-trimethyl-4-nitro- (CAS 46338-52-7), with molecular formula C10H15N2O2+ and molecular weight 195.11 g/mol. IUPAC: trimethyl-[(4-nitrophenyl)methyl]azanium.
Chemical Property Profile of Benzenemethanaminium, N,N,N-trimethyl-4-nitro-
Property Insights of Benzenemethanaminium, N,N,N-trimethyl-4-nitro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanaminium, N,N,N-trimethyl-4-nitro-. With a topological polar surface area (TPSA) of 45.8 Ų, Benzenemethanaminium, N,N,N-trimethyl-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanaminium, N,N,N-trimethyl-4-nitro- 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 Benzenemethanaminium, N,N,N-trimethyl-4-nitro-?
The CAS number of Benzenemethanaminium, N,N,N-trimethyl-4-nitro- is 46338-52-7.
What is the molecular formula of Benzenemethanaminium, N,N,N-trimethyl-4-nitro-?
The molecular formula of Benzenemethanaminium, N,N,N-trimethyl-4-nitro- is C10H15N2O2+.
What is the molecular weight of Benzenemethanaminium, N,N,N-trimethyl-4-nitro-?
The molecular weight of Benzenemethanaminium, N,N,N-trimethyl-4-nitro- is 195.11 g/mol.
Where can I buy Benzenemethanaminium, N,N,N-trimethyl-4-nitro-?
You can request a quote for Benzenemethanaminium, N,N,N-trimethyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanaminium, N,N,N-trimethyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanaminium, N,N,N-trimethyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.