N-Butyl-N-(3-formylpropyl)nitrosamine
TL;DR: N-Butyl-N-(3-formylpropyl)nitrosamine (CAS 72928-44-0) is a chemical compound with molecular formula CCCCN(CCCC=O)N=O and molecular weight 172.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-N-(4-oxobutyl)nitrous amide
Also Known As: BFPN, N-Butyl-N-(3-formylpropyl)nitrosamine, N-butyl-N-(4-oxobutyl)nitrous amide, Butanal, 4-(butylnitrosoamino)-, 4-[butyl(nitroso)amino]butanal
Technical Specifications
| Molecular Formula | CCCCN(CCCC=O)N=O |
| Molecular Weight | 172.12119 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.12119 Da |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
| SMILES | CCCCN(CCCC=O)N=O |
| InChIKey | VWRKNGCLVDCLRF-UHFFFAOYSA-N |
Chemical Property Profile of N-Butyl-N-(3-formylpropyl)nitrosamine
Property Insights of N-Butyl-N-(3-formylpropyl)nitrosamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N-(3-formylpropyl)nitrosamine. With a topological polar surface area (TPSA) of 49.7 Ų, N-Butyl-N-(3-formylpropyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Butyl-N-(3-formylpropyl)nitrosamine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Butyl-N-(3-formylpropyl)nitrosamine?
The CAS number of N-Butyl-N-(3-formylpropyl)nitrosamine is 72928-44-0.
What is the molecular formula of N-Butyl-N-(3-formylpropyl)nitrosamine?
The molecular formula of N-Butyl-N-(3-formylpropyl)nitrosamine is CCCCN(CCCC=O)N=O.
What is the molecular weight of N-Butyl-N-(3-formylpropyl)nitrosamine?
The molecular weight of N-Butyl-N-(3-formylpropyl)nitrosamine is 172.12119 g/mol.
Where can I buy N-Butyl-N-(3-formylpropyl)nitrosamine?
You can request a quote for N-Butyl-N-(3-formylpropyl)nitrosamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Butyl-N-(3-formylpropyl)nitrosamine?
Yes, CoreyChem provides custom synthesis services for N-Butyl-N-(3-formylpropyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.