N-(tert-butyl)-N-(4-nitrobenzyl)amine
TL;DR: N-(tert-butyl)-N-(4-nitrobenzyl)amine (CAS 3489-67-6) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(4-nitrophenyl)methyl]propan-2-amine
Also Known As: 4-nitrobenzylt-butylamine, N-(tert-butyl)-N-(4-nitrobenzyl)amine, N-(t-butyl)-N-p-nitrobenzylamine, N-tert-Butyl-4-nitrobenzenemethanamine, TERT-BUTYL[(4-NITROPHENYL)METHYL]AMINE
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 3489-67-6 |
|---|---|
| SMILES | CC(C)(C)NCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DZSPAYFRZMHQOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(tert-butyl)-N-(4-nitrobenzyl)amine (CAS 3489-67-6), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: 2-methyl-N-[(4-nitrophenyl)methyl]propan-2-amine.
Chemical Property Profile of N-(tert-butyl)-N-(4-nitrobenzyl)amine
Property Insights of N-(tert-butyl)-N-(4-nitrobenzyl)amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-N-(4-nitrobenzyl)amine. With a topological polar surface area (TPSA) of 57.9 Ų, N-(tert-butyl)-N-(4-nitrobenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-N-(4-nitrobenzyl)amine 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
Frequently Asked Questions
What is the CAS number of N-(tert-butyl)-N-(4-nitrobenzyl)amine?
The CAS number of N-(tert-butyl)-N-(4-nitrobenzyl)amine is 3489-67-6.
What is the molecular formula of N-(tert-butyl)-N-(4-nitrobenzyl)amine?
The molecular formula of N-(tert-butyl)-N-(4-nitrobenzyl)amine is C11H16N2O2.
What is the molecular weight of N-(tert-butyl)-N-(4-nitrobenzyl)amine?
The molecular weight of N-(tert-butyl)-N-(4-nitrobenzyl)amine is 208.12 g/mol.
Where can I buy N-(tert-butyl)-N-(4-nitrobenzyl)amine?
You can request a quote for N-(tert-butyl)-N-(4-nitrobenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-N-(4-nitrobenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-N-(4-nitrobenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.