二己基亚硝胺
TL;DR: 二己基亚硝胺 (CAS 6949-28-6) is a chemical compound with molecular formula C12H26N2O and molecular weight 214.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二己基亚硝胺
N,N-dihexylnitrous amide
Also Known As: Dihexylnitrosamine, Dihexylnitrosoamine, N-Nitrosodihexylamine, N-Nitroso-di-n-hexylamine, N,N-dihexylnitrous amide
| Molecular Formula | C12H26N2O |
|---|---|
| Molecular Weight | 214.20 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.20451 |
| Heavy Atoms | 15 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 6949-28-6 |
|---|---|
| SMILES | CCCCCCN(CCCCCC)N=O |
| InChIKey | KWAGGQMMLIYQAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二己基亚硝胺 (CAS 6949-28-6), with molecular formula C12H26N2O and molecular weight 214.20 g/mol. IUPAC: N,N-dihexylnitrous amide.
Chemical Property Profile of 二己基亚硝胺
Property Insights of 二己基亚硝胺
The XLogP value of 4.8 indicates that 二己基亚硝胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 二己基亚硝胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二己基亚硝胺 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 二己基亚硝胺?
The CAS number of 二己基亚硝胺 is 6949-28-6.
What is the molecular formula of 二己基亚硝胺?
The molecular formula of 二己基亚硝胺 is C12H26N2O.
What is the molecular weight of 二己基亚硝胺?
The molecular weight of 二己基亚硝胺 is 214.20 g/mol.
Where can I buy 二己基亚硝胺?
You can request a quote for 二己基亚硝胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二己基亚硝胺?
Yes, KEHONG BIO provides custom synthesis services for 二己基亚硝胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.