Methyloctadecylnitrosamine
TL;DR: Methyloctadecylnitrosamine (CAS 69112-94-3) is a chemical compound with molecular formula C19H40N2O and molecular weight 312.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-octadecylnitrous amide
Also Known As: Methyloctadecylnitrosamine, NMODA, N-Nitroso-N-methyloctadecylamine, N-methyl-N-octadecylnitrous amide, N-Methyl-N-nitroso-1-octadecylamine
| Molecular Formula | C19H40N2O |
|---|---|
| Molecular Weight | 312.31 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 312.31406 |
| Heavy Atoms | 22 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 69112-94-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN(C)N=O |
| InChIKey | BOZIJWXTDWOIBU-UHFFFAOYSA-N |
Product Overview
Methyloctadecylnitrosamine (CAS 69112-94-3), with molecular formula C19H40N2O and molecular weight 312.31 g/mol. IUPAC: N-methyl-N-octadecylnitrous amide.
Chemical Property Profile of Methyloctadecylnitrosamine
Property Insights of Methyloctadecylnitrosamine
The XLogP value of 9.0 indicates that Methyloctadecylnitrosamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Methyloctadecylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyloctadecylnitrosamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyloctadecylnitrosamine?
The CAS number of Methyloctadecylnitrosamine is 69112-94-3.
What is the molecular formula of Methyloctadecylnitrosamine?
The molecular formula of Methyloctadecylnitrosamine is C19H40N2O.
What is the molecular weight of Methyloctadecylnitrosamine?
The molecular weight of Methyloctadecylnitrosamine is 312.31 g/mol.
Where can I buy Methyloctadecylnitrosamine?
You can request a quote for Methyloctadecylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyloctadecylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Methyloctadecylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.