4-tert-Butylnitrosopiperidine
TL;DR: 4-tert-Butylnitrosopiperidine (CAS 46061-25-0) is a chemical compound with molecular formula C9H18N2O and molecular weight 170.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-nitrosopiperidine
Also Known As: 4-tert-Butylnitrosopiperidine, 4-tert-Butyl-1-nitrosopiperidine, N-Nitroso-4-tert-butylpiperidine, nitroso-4-t-butylpiperidine, 4-(tert-butyl)-1-nitrosopiperidine
| Molecular Formula | C9H18N2O |
|---|---|
| Molecular Weight | 170.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.1419 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
| Vapor Pressure | 0.00805 [mmHg] |
Chemical Identifiers
| CAS Number | 46061-25-0 |
|---|---|
| SMILES | CC(C)(C)C1CCN(CC1)N=O |
| InChIKey | XVZWACWGVWVKEW-UHFFFAOYSA-N |
Product Overview
4-tert-Butylnitrosopiperidine (CAS 46061-25-0), with molecular formula C9H18N2O and molecular weight 170.14 g/mol. IUPAC: 4-tert-butyl-1-nitrosopiperidine.
Chemical Property Profile of 4-tert-Butylnitrosopiperidine
Property Insights of 4-tert-Butylnitrosopiperidine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylnitrosopiperidine. With a topological polar surface area (TPSA) of 32.7 Ų, 4-tert-Butylnitrosopiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylnitrosopiperidine 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 4-tert-Butylnitrosopiperidine?
The CAS number of 4-tert-Butylnitrosopiperidine is 46061-25-0.
What is the molecular formula of 4-tert-Butylnitrosopiperidine?
The molecular formula of 4-tert-Butylnitrosopiperidine is C9H18N2O.
What is the molecular weight of 4-tert-Butylnitrosopiperidine?
The molecular weight of 4-tert-Butylnitrosopiperidine is 170.14 g/mol.
Where can I buy 4-tert-Butylnitrosopiperidine?
You can request a quote for 4-tert-Butylnitrosopiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylnitrosopiperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylnitrosopiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.