Ethylbutylnitrosamine
TL;DR: Ethylbutylnitrosamine (CAS 4549-44-4) is a chemical compound with molecular formula C6H14N2O and molecular weight 130.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-ethylnitrous amide
Also Known As: Ethylbutylnitrosamine, N-Ethyl-N-nitrosobutylamine, N-Nitroso-N-ethylbutylamine, Nitrosoethylbutylamine, Ethyl-N-butylnitrosamine
| Molecular Formula | C6H14N2O |
|---|---|
| Molecular Weight | 130.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.11061 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
| Flash Point | 93 °C |
| Vapor Pressure | 0.087 mmHg |
Chemical Identifiers
| CAS Number | 4549-44-4 |
|---|---|
| SMILES | CCCCN(CC)N=O |
| InChIKey | ZGMCNGHHUQZNIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylbutylnitrosamine (CAS 4549-44-4), with molecular formula C6H14N2O and molecular weight 130.11 g/mol. IUPAC: N-butyl-N-ethylnitrous amide.
Chemical Property Profile of Ethylbutylnitrosamine
Property Insights of Ethylbutylnitrosamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylbutylnitrosamine. With a topological polar surface area (TPSA) of 32.7 Ų, Ethylbutylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylbutylnitrosamine has 0 hydrogen bond donor(s) and 3 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 Ethylbutylnitrosamine?
The CAS number of Ethylbutylnitrosamine is 4549-44-4.
What is the molecular formula of Ethylbutylnitrosamine?
The molecular formula of Ethylbutylnitrosamine is C6H14N2O.
What is the molecular weight of Ethylbutylnitrosamine?
The molecular weight of Ethylbutylnitrosamine is 130.11 g/mol.
Where can I buy Ethylbutylnitrosamine?
You can request a quote for Ethylbutylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylbutylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Ethylbutylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.