N-Butyl-N-(2-hydroxybutyl)nitrosamine
TL;DR: N-Butyl-N-(2-hydroxybutyl)nitrosamine (CAS 55621-29-9) is a chemical compound with molecular formula C8H18N2O2 and molecular weight 174.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(2-hydroxybutyl)nitrous amide
Also Known As: N-Butyl-N-(2-hydroxybutyl)nitrosamine, N-BUTYL-N- NITROSAMINE, 1-[butyl(nitroso)amino]butan-2-ol, 1-(Butylnitrosoamino)-2-butanol, 2-BUTANOL, 1-(BUTYLNITROSOAMINO)-
| Molecular Formula | C8H18N2O2 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.13683 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 55621-29-9 |
|---|---|
| SMILES | CCCCN(CC(CC)O)N=O |
| InChIKey | BWHWPDPMUUTEAZ-UHFFFAOYSA-N |
Product Overview
N-Butyl-N-(2-hydroxybutyl)nitrosamine (CAS 55621-29-9), with molecular formula C8H18N2O2 and molecular weight 174.14 g/mol. IUPAC: N-butyl-N-(2-hydroxybutyl)nitrous amide.
Chemical Property Profile of N-Butyl-N-(2-hydroxybutyl)nitrosamine
Property Insights of N-Butyl-N-(2-hydroxybutyl)nitrosamine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N-(2-hydroxybutyl)nitrosamine. With a topological polar surface area (TPSA) of 52.9 Ų, N-Butyl-N-(2-hydroxybutyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-N-(2-hydroxybutyl)nitrosamine has 1 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-(2-hydroxybutyl)nitrosamine?
The CAS number of N-Butyl-N-(2-hydroxybutyl)nitrosamine is 55621-29-9.
What is the molecular formula of N-Butyl-N-(2-hydroxybutyl)nitrosamine?
The molecular formula of N-Butyl-N-(2-hydroxybutyl)nitrosamine is C8H18N2O2.
What is the molecular weight of N-Butyl-N-(2-hydroxybutyl)nitrosamine?
The molecular weight of N-Butyl-N-(2-hydroxybutyl)nitrosamine is 174.14 g/mol.
Where can I buy N-Butyl-N-(2-hydroxybutyl)nitrosamine?
You can request a quote for N-Butyl-N-(2-hydroxybutyl)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-hydroxybutyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N-(2-hydroxybutyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.