N,N-dimethyl-2-nitrobenzylamine
TL;DR: N,N-dimethyl-2-nitrobenzylamine (CAS 55581-64-1) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-(2-nitrophenyl)methanamine
Also Known As: N,N-dimethyl-2-nitrobenzylamine, N,N-Dimethyl-o-nitrobenzylamine, dimethyl[(2-nitrophenyl)methyl]amine, N,N-Dimethyl-2-nitrobenzenemethanamine, 4-((dimethylamino)methyl)-3-nitrobenzene
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 55581-64-1 |
|---|---|
| SMILES | CN(C)CC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | FCAMUPIRWKNASD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-dimethyl-2-nitrobenzylamine (CAS 55581-64-1), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N,N-dimethyl-1-(2-nitrophenyl)methanamine.
Chemical Property Profile of N,N-dimethyl-2-nitrobenzylamine
Property Insights of N,N-dimethyl-2-nitrobenzylamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-2-nitrobenzylamine. With a topological polar surface area (TPSA) of 49.1 Ų, N,N-dimethyl-2-nitrobenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-2-nitrobenzylamine 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
Frequently Asked Questions
What is the CAS number of N,N-dimethyl-2-nitrobenzylamine?
The CAS number of N,N-dimethyl-2-nitrobenzylamine is 55581-64-1.
What is the molecular formula of N,N-dimethyl-2-nitrobenzylamine?
The molecular formula of N,N-dimethyl-2-nitrobenzylamine is C9H12N2O2.
What is the molecular weight of N,N-dimethyl-2-nitrobenzylamine?
The molecular weight of N,N-dimethyl-2-nitrobenzylamine is 180.09 g/mol.
Where can I buy N,N-dimethyl-2-nitrobenzylamine?
You can request a quote for N,N-dimethyl-2-nitrobenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-2-nitrobenzylamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-2-nitrobenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.