Dimethyl-(3-nitrobenzyl)-amine
TL;DR: Dimethyl-(3-nitrobenzyl)-amine (CAS 15184-95-9) 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-(3-nitrophenyl)methanamine
Also Known As: (3-nitrophenyl)-N,N-dimethylmethanamine, N,N-dimethyl-3-nitrobenzylamine, Dimethyl-(3-nitrobenzyl)-amine, N,N-dimethyl-1-(3-nitrophenyl)methanamine, Benzenemethanamine, N,N-dimethyl-3-nitro-
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.9 |
| 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 | 15184-95-9 |
|---|---|
| SMILES | CN(C)CC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | IGGSKKPPZAJIFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl-(3-nitrobenzyl)-amine (CAS 15184-95-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N,N-dimethyl-1-(3-nitrophenyl)methanamine.
Chemical Property Profile of Dimethyl-(3-nitrobenzyl)-amine
Property Insights of Dimethyl-(3-nitrobenzyl)-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl-(3-nitrobenzyl)-amine. With a topological polar surface area (TPSA) of 49.1 Ų, Dimethyl-(3-nitrobenzyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl-(3-nitrobenzyl)-amine 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 Dimethyl-(3-nitrobenzyl)-amine?
The CAS number of Dimethyl-(3-nitrobenzyl)-amine is 15184-95-9.
What is the molecular formula of Dimethyl-(3-nitrobenzyl)-amine?
The molecular formula of Dimethyl-(3-nitrobenzyl)-amine is C9H12N2O2.
What is the molecular weight of Dimethyl-(3-nitrobenzyl)-amine?
The molecular weight of Dimethyl-(3-nitrobenzyl)-amine is 180.09 g/mol.
Where can I buy Dimethyl-(3-nitrobenzyl)-amine?
You can request a quote for Dimethyl-(3-nitrobenzyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl-(3-nitrobenzyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl-(3-nitrobenzyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.