Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-
TL;DR: Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- (CAS 78694-18-5) is a chemical compound with molecular formula CCCC(N(C)N=O)OO and molecular weight 148.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-hydroperoxybutyl)-N-methylnitrous amide
Also Known As: Isopemptohemin, 1-[methyl(nitroso)amino]butylhydroperoxide, KST-1B8605, 1-(Hydroperoxy)-N-methyl-N-nitrosobutylamine, Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-
| Molecular Formula | CCCC(N(C)N=O)OO |
|---|---|
| Molecular Weight | 148.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.0848 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 78694-18-5 |
|---|---|
| SMILES | CCCC(N(C)N=O)OO |
| InChIKey | PEIAKIHBVIKNCT-UHFFFAOYSA-N |
Product Overview
Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- (CAS 78694-18-5), with molecular formula CCCC(N(C)N=O)OO and molecular weight 148.08 g/mol. IUPAC: N-(1-hydroperoxybutyl)-N-methylnitrous amide.
Chemical Property Profile of Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-
Property Insights of Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-. Following Lipinski's Rule of Five, Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- has 1 hydrogen bond donor(s) and 5 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 Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-?
The CAS number of Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- is 78694-18-5.
What is the molecular formula of Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-?
The molecular formula of Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- is CCCC(N(C)N=O)OO.
What is the molecular weight of Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-?
The molecular weight of Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- is 148.08 g/mol.
Where can I buy Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-?
You can request a quote for Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Butylamine, 1-(hydroperoxy)-N-methyl-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.