N-Butyl-N-(3-oxobutyl)nitrosamine
TL;DR: N-Butyl-N-(3-oxobutyl)nitrosamine (CAS 61734-89-2) is a chemical compound with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(3-oxobutyl)nitrous amide
Also Known As: 4- -2-butanone, N-Butyl-N-(3-oxobutyl)nitrosamine, 4-(Butylnitrosoamino)-2-butanone, N-Butyl-N-(2-oxobutyl)nitrosamine, N-Nitroso-N-(2-oxobutyl)butylamine
| Molecular Formula | C8H16N2O2 |
|---|---|
| Molecular Weight | 172.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.12119 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 61734-89-2 |
|---|---|
| SMILES | CCCCN(CCC(=O)C)N=O |
| InChIKey | YZNDPHYLLZSGTF-UHFFFAOYSA-N |
Product Overview
N-Butyl-N-(3-oxobutyl)nitrosamine (CAS 61734-89-2), with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol. IUPAC: N-butyl-N-(3-oxobutyl)nitrous amide.
Chemical Property Profile of N-Butyl-N-(3-oxobutyl)nitrosamine
Property Insights of N-Butyl-N-(3-oxobutyl)nitrosamine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N-(3-oxobutyl)nitrosamine. With a topological polar surface area (TPSA) of 49.7 Ų, N-Butyl-N-(3-oxobutyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-N-(3-oxobutyl)nitrosamine has 0 hydrogen bond donor(s) and 4 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 N-Butyl-N-(3-oxobutyl)nitrosamine?
The CAS number of N-Butyl-N-(3-oxobutyl)nitrosamine is 61734-89-2.
What is the molecular formula of N-Butyl-N-(3-oxobutyl)nitrosamine?
The molecular formula of N-Butyl-N-(3-oxobutyl)nitrosamine is C8H16N2O2.
What is the molecular weight of N-Butyl-N-(3-oxobutyl)nitrosamine?
The molecular weight of N-Butyl-N-(3-oxobutyl)nitrosamine is 172.12 g/mol.
Where can I buy N-Butyl-N-(3-oxobutyl)nitrosamine?
You can request a quote for N-Butyl-N-(3-oxobutyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-N-(3-oxobutyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N-(3-oxobutyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.