N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine
TL;DR: N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine (CAS 62018-91-1) is a chemical compound with molecular formula C8H18N2O3 and molecular weight 190.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(2,4-dihydroxybutyl)nitrous amide
Also Known As: N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine, N-butyl-N-(2,4-dihydroxybutyl)nitrous amide, 4-(Butylnitrosoamino)-1,3-butanediol, 1,3-BUTANEDIOL, 4-(BUTYLNITROSOAMINO)-, 4-[BUTYL(NITROSO)AMINO]BUTANE-1,3-DIOL
| Molecular Formula | C8H18N2O3 |
|---|---|
| Molecular Weight | 190.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.13174 |
| Heavy Atoms | 13 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 62018-91-1 |
|---|---|
| SMILES | CCCCN(CC(CCO)O)N=O |
| InChIKey | RITJJHADSKTQLW-UHFFFAOYSA-N |
Product Overview
N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine (CAS 62018-91-1), with molecular formula C8H18N2O3 and molecular weight 190.13 g/mol. IUPAC: N-butyl-N-(2,4-dihydroxybutyl)nitrous amide.
Chemical Property Profile of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine
Property Insights of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine. Following Lipinski's Rule of Five, N-Butyl-N-(2,4-dihydroxybutyl)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
Frequently Asked Questions
What is the CAS number of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine?
The CAS number of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine is 62018-91-1.
What is the molecular formula of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine?
The molecular formula of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine is C8H18N2O3.
What is the molecular weight of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine?
The molecular weight of N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine is 190.13 g/mol.
Where can I buy N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine?
You can request a quote for N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N-(2,4-dihydroxybutyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.