N-丁基-N-(2-氧丁基)亚硝胺
TL;DR: N-丁基-N-(2-氧丁基)亚硝胺 (CAS 61734-90-5) is a chemical compound with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-丁基-N-(2-氧丁基)亚硝胺
N-butyl-N-(2-oxobutyl)nitrous amide
Also Known As: N-Butyl-N-(2-oxobutyl)nitrosamine, N-Butyl-N-(3-oxobutyl)nitrosamine, N-Nitroso-N-(3-oxobutyl)butylamine, 3-BUTANONE, 4-(BUTYLNITROSAMINO)-, N-butyl-N-(2-oxobutyl)nitrous amide
| Molecular Formula | C8H16N2O2 |
|---|---|
| Molecular Weight | 172.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.12119 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 61734-90-5 |
|---|---|
| SMILES | CCCCN(CC(=O)CC)N=O |
| InChIKey | PSHQOARTDNZNHE-UHFFFAOYSA-N |
Product Overview
N-丁基-N-(2-氧丁基)亚硝胺 (CAS 61734-90-5), with molecular formula C8H16N2O2 and molecular weight 172.12 g/mol. IUPAC: N-butyl-N-(2-oxobutyl)nitrous amide.
Chemical Property Profile of N-丁基-N-(2-氧丁基)亚硝胺
Property Insights of N-丁基-N-(2-氧丁基)亚硝胺
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-丁基-N-(2-氧丁基)亚硝胺. With a topological polar surface area (TPSA) of 49.7 Ų, N-丁基-N-(2-氧丁基)亚硝胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-丁基-N-(2-氧丁基)亚硝胺 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
Frequently Asked Questions
What is the CAS number of N-丁基-N-(2-氧丁基)亚硝胺?
The CAS number of N-丁基-N-(2-氧丁基)亚硝胺 is 61734-90-5.
What is the molecular formula of N-丁基-N-(2-氧丁基)亚硝胺?
The molecular formula of N-丁基-N-(2-氧丁基)亚硝胺 is C8H16N2O2.
What is the molecular weight of N-丁基-N-(2-氧丁基)亚硝胺?
The molecular weight of N-丁基-N-(2-氧丁基)亚硝胺 is 172.12 g/mol.
Where can I buy N-丁基-N-(2-氧丁基)亚硝胺?
You can request a quote for N-丁基-N-(2-氧丁基)亚硝胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-丁基-N-(2-氧丁基)亚硝胺?
Yes, KEHONG BIO provides custom synthesis services for N-丁基-N-(2-氧丁基)亚硝胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.