sec-Butyl-acetoxymethyl-nitrosamine
TL;DR: sec-Butyl-acetoxymethyl-nitrosamine (CAS 56986-37-9) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[butan-2-yl(nitroso)amino]methyl acetate
Also Known As: sec-Butyl-acetoxymethyl-nitrosamine, [butan-2-yl(nitroso)amino]methyl acetate, sec-Butylnitrosoaminomethyl=acetate, N-sec-Butyl-N-(acetoxymethyl)nitrosamine, [(Butan-2-yl)(nitroso)amino]methyl acetate
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 56986-37-9 |
|---|---|
| SMILES | CCC(C)N(COC(=O)C)N=O |
| InChIKey | QRPHWESBHRCJOY-UHFFFAOYSA-N |
Product Overview
sec-Butyl-acetoxymethyl-nitrosamine (CAS 56986-37-9), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: [butan-2-yl(nitroso)amino]methyl acetate.
Chemical Property Profile of sec-Butyl-acetoxymethyl-nitrosamine
Property Insights of sec-Butyl-acetoxymethyl-nitrosamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Butyl-acetoxymethyl-nitrosamine. With a topological polar surface area (TPSA) of 59.0 Ų, sec-Butyl-acetoxymethyl-nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butyl-acetoxymethyl-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 sec-Butyl-acetoxymethyl-nitrosamine?
The CAS number of sec-Butyl-acetoxymethyl-nitrosamine is 56986-37-9.
What is the molecular formula of sec-Butyl-acetoxymethyl-nitrosamine?
The molecular formula of sec-Butyl-acetoxymethyl-nitrosamine is C7H14N2O3.
What is the molecular weight of sec-Butyl-acetoxymethyl-nitrosamine?
The molecular weight of sec-Butyl-acetoxymethyl-nitrosamine is 174.10 g/mol.
Where can I buy sec-Butyl-acetoxymethyl-nitrosamine?
You can request a quote for sec-Butyl-acetoxymethyl-nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butyl-acetoxymethyl-nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for sec-Butyl-acetoxymethyl-nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.