N-butyl-N-(4-hydroxybutyl)nitrosamine
TL;DR: N-butyl-N-(4-hydroxybutyl)nitrosamine (CAS 3817-11-6) 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-(4-hydroxybutyl)nitrous amide
Also Known As: N-Butyl-N-(4-hydroxybutyl)nitrosamine, Bhbn, Hbbn, Nbha, Butylhydroxybutylnitrosamine
| Molecular Formula | C8H18N2O2 |
|---|---|
| Molecular Weight | 174.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.13683 |
| Heavy Atoms | 12 |
| Complexity | 109.0 |
| Solubility | 10 to 50 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 3817-11-6 |
|---|---|
| SMILES | CCCCN(CCCCO)N=O |
| InChIKey | DIKPQFXYECAYPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-butyl-N-(4-hydroxybutyl)nitrosamine (CAS 3817-11-6), with molecular formula C8H18N2O2 and molecular weight 174.14 g/mol. IUPAC: N-butyl-N-(4-hydroxybutyl)nitrous amide.
Chemical Property Profile of N-butyl-N-(4-hydroxybutyl)nitrosamine
Property Insights of N-butyl-N-(4-hydroxybutyl)nitrosamine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-N-(4-hydroxybutyl)nitrosamine. With a topological polar surface area (TPSA) of 52.9 Ų, N-butyl-N-(4-hydroxybutyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N-(4-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-(4-hydroxybutyl)nitrosamine?
The CAS number of N-butyl-N-(4-hydroxybutyl)nitrosamine is 3817-11-6.
What is the molecular formula of N-butyl-N-(4-hydroxybutyl)nitrosamine?
The molecular formula of N-butyl-N-(4-hydroxybutyl)nitrosamine is C8H18N2O2.
What is the molecular weight of N-butyl-N-(4-hydroxybutyl)nitrosamine?
The molecular weight of N-butyl-N-(4-hydroxybutyl)nitrosamine is 174.14 g/mol.
Where can I buy N-butyl-N-(4-hydroxybutyl)nitrosamine?
You can request a quote for N-butyl-N-(4-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-(4-hydroxybutyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-(4-hydroxybutyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.