p-Nitrobenzylidene tert-butylamine
TL;DR: p-Nitrobenzylidene tert-butylamine (CAS 718-36-5) is a chemical compound with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-(4-nitrophenyl)methanimine
Also Known As: p-Nitrobenzylidene tert-butylamine, p-Nitrobenzylidene-tert-butylamine, N-tert-butyl-1-(4-nitrophenyl)methanimine, TIMTEC-BB SBB007794, 1-(2-(methylthio)phenyl)ethanone
| Molecular Formula | C11H14N2O2 |
|---|---|
| Molecular Weight | 206.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.10553 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 718-36-5 |
|---|---|
| SMILES | CC(C)(C)N=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BZCRPTQYJYKZDH-UHFFFAOYSA-N |
Product Overview
p-Nitrobenzylidene tert-butylamine (CAS 718-36-5), with molecular formula C11H14N2O2 and molecular weight 206.11 g/mol. IUPAC: N-tert-butyl-1-(4-nitrophenyl)methanimine.
Chemical Property Profile of p-Nitrobenzylidene tert-butylamine
Property Insights of p-Nitrobenzylidene tert-butylamine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Nitrobenzylidene tert-butylamine. With a topological polar surface area (TPSA) of 58.2 Ų, p-Nitrobenzylidene tert-butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Nitrobenzylidene tert-butylamine 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 p-Nitrobenzylidene tert-butylamine?
The CAS number of p-Nitrobenzylidene tert-butylamine is 718-36-5.
What is the molecular formula of p-Nitrobenzylidene tert-butylamine?
The molecular formula of p-Nitrobenzylidene tert-butylamine is C11H14N2O2.
What is the molecular weight of p-Nitrobenzylidene tert-butylamine?
The molecular weight of p-Nitrobenzylidene tert-butylamine is 206.11 g/mol.
Where can I buy p-Nitrobenzylidene tert-butylamine?
You can request a quote for p-Nitrobenzylidene tert-butylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrobenzylidene tert-butylamine?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrobenzylidene tert-butylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.