1-Octanamine,N-nitroso-N-octyl
TL;DR: 1-Octanamine,N-nitroso-N-octyl (CAS 717-61-3) is a chemical compound with molecular formula C18H22N12O6 and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[nitroso-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]-N-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)nitrous amide
Also Known As: 1-Octanamine,N-nitroso-N-octyl, 8,8'-[ethane-1,2-diylbis(nitrosoimino)]bis(1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione), Caffeine,8,8'-(ethylenedinitrosimino)di- (7CI,8CI), N-[2-[nitroso-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]eth, N-[2-[nitroso-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]-N-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)nitrous amide
| Molecular Formula | C18H22N12O6 |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 502.17853 |
| Heavy Atoms | 36 |
| Complexity | 906.0 |
Chemical Identifiers
| CAS Number | 717-61-3 |
|---|---|
| SMILES | CN1C2=C(N=C1N(CCN(C3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)N=O)N=O)N(C(=O)N(C2=O)C)C |
| InChIKey | NRJORFWPGOBMIG-UHFFFAOYSA-N |
Product Overview
1-Octanamine,N-nitroso-N-octyl (CAS 717-61-3), with molecular formula C18H22N12O6 and molecular weight 502.18 g/mol. IUPAC: N-[2-[nitroso-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl]-N-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)nitrous amide.
Chemical Property Profile of 1-Octanamine,N-nitroso-N-octyl
Property Insights of 1-Octanamine,N-nitroso-N-octyl
The XLogP value of -0.8 indicates that 1-Octanamine,N-nitroso-N-octyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting 1-Octanamine,N-nitroso-N-octyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Octanamine,N-nitroso-N-octyl has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octanamine,N-nitroso-N-octyl?
The CAS number of 1-Octanamine,N-nitroso-N-octyl is 717-61-3.
What is the molecular formula of 1-Octanamine,N-nitroso-N-octyl?
The molecular formula of 1-Octanamine,N-nitroso-N-octyl is C18H22N12O6.
What is the molecular weight of 1-Octanamine,N-nitroso-N-octyl?
The molecular weight of 1-Octanamine,N-nitroso-N-octyl is 502.18 g/mol.
Where can I buy 1-Octanamine,N-nitroso-N-octyl?
You can request a quote for 1-Octanamine,N-nitroso-N-octyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octanamine,N-nitroso-N-octyl?
Yes, KEHONG BIO provides custom synthesis services for 1-Octanamine,N-nitroso-N-octyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.