Propyl(4-hydroxybutyl)nitrosamine
TL;DR: Propyl(4-hydroxybutyl)nitrosamine (CAS 51938-12-6) is a chemical compound with molecular formula C7H16N2O2 and molecular weight 160.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxybutyl)-N-propylnitrous amide
Also Known As: PHBN, Propyl(4-hydroxybutyl)nitrosamine, N-Nitroso-n-propyl-(4-hydroxybutyl)amine, 4-(Propylnitrosamino)-1-butanol, 4-[nitroso(propyl)amino]butan-1-ol
| Molecular Formula | C7H16N2O2 |
|---|---|
| Molecular Weight | 160.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.12119 |
| Heavy Atoms | 11 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 51938-12-6 |
|---|---|
| SMILES | CCCN(CCCCO)N=O |
| InChIKey | UWWNOBIHFJLOSY-UHFFFAOYSA-N |
Product Overview
Propyl(4-hydroxybutyl)nitrosamine (CAS 51938-12-6), with molecular formula C7H16N2O2 and molecular weight 160.12 g/mol. IUPAC: N-(4-hydroxybutyl)-N-propylnitrous amide.
Chemical Property Profile of Propyl(4-hydroxybutyl)nitrosamine
Property Insights of Propyl(4-hydroxybutyl)nitrosamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl(4-hydroxybutyl)nitrosamine. With a topological polar surface area (TPSA) of 52.9 Ų, Propyl(4-hydroxybutyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl(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 Propyl(4-hydroxybutyl)nitrosamine?
The CAS number of Propyl(4-hydroxybutyl)nitrosamine is 51938-12-6.
What is the molecular formula of Propyl(4-hydroxybutyl)nitrosamine?
The molecular formula of Propyl(4-hydroxybutyl)nitrosamine is C7H16N2O2.
What is the molecular weight of Propyl(4-hydroxybutyl)nitrosamine?
The molecular weight of Propyl(4-hydroxybutyl)nitrosamine is 160.12 g/mol.
Where can I buy Propyl(4-hydroxybutyl)nitrosamine?
You can request a quote for Propyl(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 Propyl(4-hydroxybutyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Propyl(4-hydroxybutyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.