N-Butyl-N-(2-carboxyethyl)nitrosamine
TL;DR: N-Butyl-N-(2-carboxyethyl)nitrosamine (CAS 5466-60-4) is a chemical compound with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[butyl(nitroso)amino]propanoate
Also Known As: N-Butyl-N-(2-carboxyethyl)nitrosamine, methyl 3-[butyl(nitroso)amino]propanoate, Propanoic acid,3-(butylnitrosoamino)-,methyl ester, Propanoic acid,3-(butylnitrosoamino)-, methyl ester
| Molecular Formula | C8H16N2O3 |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.11609 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 5466-60-4 |
|---|---|
| SMILES | CCCCN(CCC(=O)OC)N=O |
| InChIKey | OZQOCSYHTLQBCN-UHFFFAOYSA-N |
Product Overview
N-Butyl-N-(2-carboxyethyl)nitrosamine (CAS 5466-60-4), with molecular formula C8H16N2O3 and molecular weight 188.12 g/mol. IUPAC: methyl 3-[butyl(nitroso)amino]propanoate.
Chemical Property Profile of N-Butyl-N-(2-carboxyethyl)nitrosamine
Property Insights of N-Butyl-N-(2-carboxyethyl)nitrosamine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N-(2-carboxyethyl)nitrosamine. With a topological polar surface area (TPSA) of 59.0 Ų, N-Butyl-N-(2-carboxyethyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-N-(2-carboxyethyl)nitrosamine has 0 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 N-Butyl-N-(2-carboxyethyl)nitrosamine?
The CAS number of N-Butyl-N-(2-carboxyethyl)nitrosamine is 5466-60-4.
What is the molecular formula of N-Butyl-N-(2-carboxyethyl)nitrosamine?
The molecular formula of N-Butyl-N-(2-carboxyethyl)nitrosamine is C8H16N2O3.
What is the molecular weight of N-Butyl-N-(2-carboxyethyl)nitrosamine?
The molecular weight of N-Butyl-N-(2-carboxyethyl)nitrosamine is 188.12 g/mol.
Where can I buy N-Butyl-N-(2-carboxyethyl)nitrosamine?
You can request a quote for N-Butyl-N-(2-carboxyethyl)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-(2-carboxyethyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N-(2-carboxyethyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.