Butyl(3-hydroxypropyl)nitrosamine
TL;DR: Butyl(3-hydroxypropyl)nitrosamine (CAS 51938-13-7) 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-butyl-N-(3-hydroxypropyl)nitrous amide
Also Known As: BHPN, Butyl(3-hydroxypropyl)nitrosamine, 3-(Butylnitrosoamino)-1-propanol, 1-Propanol, 3-(butylnitrosoamino)-, Butyl-(3-hydroxypropyl)-nitrosamine
| Molecular Formula | C7H16N2O2 |
|---|---|
| Molecular Weight | 160.12 g/mol |
| LogP | 1.1523 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 160.12119 |
| Heavy Atoms | 11 |
| Complexity | 90.44136 |
Chemical Identifiers
| CAS Number | 51938-13-7 |
|---|---|
| SMILES | CCCCN(CCCO)N=O |
Product Overview
Butyl(3-hydroxypropyl)nitrosamine (CAS 51938-13-7), with molecular formula C7H16N2O2 and molecular weight 160.12 g/mol. IUPAC: N-butyl-N-(3-hydroxypropyl)nitrous amide.
Chemical Property Profile of Butyl(3-hydroxypropyl)nitrosamine
Property Insights of Butyl(3-hydroxypropyl)nitrosamine
The XLogP value of 1.1523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl(3-hydroxypropyl)nitrosamine. With a topological polar surface area (TPSA) of 52.9 Ų, Butyl(3-hydroxypropyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl(3-hydroxypropyl)nitrosamine has 1 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 Butyl(3-hydroxypropyl)nitrosamine?
The CAS number of Butyl(3-hydroxypropyl)nitrosamine is 51938-13-7.
What is the molecular formula of Butyl(3-hydroxypropyl)nitrosamine?
The molecular formula of Butyl(3-hydroxypropyl)nitrosamine is C7H16N2O2.
What is the molecular weight of Butyl(3-hydroxypropyl)nitrosamine?
The molecular weight of Butyl(3-hydroxypropyl)nitrosamine is 160.12 g/mol.
Where can I buy Butyl(3-hydroxypropyl)nitrosamine?
You can request a quote for Butyl(3-hydroxypropyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl(3-hydroxypropyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Butyl(3-hydroxypropyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.