Bis(2-hydroxybutyl)nitrosamine
TL;DR: Bis(2-hydroxybutyl)nitrosamine (CAS 106555-99-1) is a chemical compound with molecular formula C8H18N2O3 and molecular weight 190.13174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-bis(2-hydroxybutyl)nitrous amide
Also Known As: Bis(2-hydroxybutyl)nitrosamine, nitrosobis(2-oxybutyl)amine, N,N-bis(2-hydroxybutyl)nitrous amide, 2-BUTANOL, 1,1'-(NITROSOIMINO)BIS-, CCRIS 3216
Technical Specifications
| Molecular Formula | C8H18N2O3 |
| Molecular Weight | 190.13174 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.13174 Da |
| Heavy Atoms | 13 |
| Complexity | 131.0 |
| SMILES | CCC(CN(CC(CC)O)N=O)O |
| InChIKey | MWHBHKQPXMHOEE-UHFFFAOYSA-N |
Chemical Property Profile of Bis(2-hydroxybutyl)nitrosamine
Property Insights of Bis(2-hydroxybutyl)nitrosamine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-hydroxybutyl)nitrosamine. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-hydroxybutyl)nitrosamine. Following Lipinski's Rule of Five, Bis(2-hydroxybutyl)nitrosamine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(2-hydroxybutyl)nitrosamine?
The CAS number of Bis(2-hydroxybutyl)nitrosamine is 106555-99-1.
What is the molecular formula of Bis(2-hydroxybutyl)nitrosamine?
The molecular formula of Bis(2-hydroxybutyl)nitrosamine is C8H18N2O3.
What is the molecular weight of Bis(2-hydroxybutyl)nitrosamine?
The molecular weight of Bis(2-hydroxybutyl)nitrosamine is 190.13174 g/mol.
Where can I buy Bis(2-hydroxybutyl)nitrosamine?
You can request a quote for Bis(2-hydroxybutyl)nitrosamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2-hydroxybutyl)nitrosamine?
Yes, CoreyChem provides custom synthesis services for Bis(2-hydroxybutyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.