N-Methyl-N-(4-hydroxybutyl)nitrosamine
TL;DR: N-Methyl-N-(4-hydroxybutyl)nitrosamine (CAS 51938-16-0) is a chemical compound with molecular formula C5H12N2O2 and molecular weight 132.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxybutyl)-N-methylnitrous amide
Also Known As: N-Methyl-N-(4-hydroxybutyl)nitrosamine, 4-(Methylnitrosoamino)-1-butanol, N-(4-hydroxybutyl)-N-methylnitrous amide, 1-BUTANOL, 4-(METHYLNITROSAMINO)-, N-METHYL-N- NITROSAMINE
| Molecular Formula | C5H12N2O2 |
|---|---|
| Molecular Weight | 132.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.08987 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 51938-16-0 |
|---|---|
| SMILES | CN(CCCCO)N=O |
| InChIKey | QYWUTOQYPOONLE-UHFFFAOYSA-N |
Product Overview
N-Methyl-N-(4-hydroxybutyl)nitrosamine (CAS 51938-16-0), with molecular formula C5H12N2O2 and molecular weight 132.09 g/mol. IUPAC: N-(4-hydroxybutyl)-N-methylnitrous amide.
Chemical Property Profile of N-Methyl-N-(4-hydroxybutyl)nitrosamine
Property Insights of N-Methyl-N-(4-hydroxybutyl)nitrosamine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N-(4-hydroxybutyl)nitrosamine. With a topological polar surface area (TPSA) of 52.9 Ų, N-Methyl-N-(4-hydroxybutyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-N-(4-hydroxybutyl)nitrosamine has 1 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-Methyl-N-(4-hydroxybutyl)nitrosamine?
The CAS number of N-Methyl-N-(4-hydroxybutyl)nitrosamine is 51938-16-0.
What is the molecular formula of N-Methyl-N-(4-hydroxybutyl)nitrosamine?
The molecular formula of N-Methyl-N-(4-hydroxybutyl)nitrosamine is C5H12N2O2.
What is the molecular weight of N-Methyl-N-(4-hydroxybutyl)nitrosamine?
The molecular weight of N-Methyl-N-(4-hydroxybutyl)nitrosamine is 132.09 g/mol.
Where can I buy N-Methyl-N-(4-hydroxybutyl)nitrosamine?
You can request a quote for N-Methyl-N-(4-hydroxybutyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N-(4-hydroxybutyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N-(4-hydroxybutyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.