Methylisoamylnitrosamine
TL;DR: Methylisoamylnitrosamine (CAS 356067-72-6) is a chemical compound with molecular formula C6H14N2O and molecular weight 130.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-(3-methylbutyl)nitrous amide
Also Known As: Methylisoamylnitrosamine, MIAN, NMIA, N-Nitrosomethylisoamylamine, isopentyl-methyl-nitroso-amine
| Molecular Formula | C6H14N2O |
|---|---|
| Molecular Weight | 130.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.11061 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 356067-72-6 |
|---|---|
| SMILES | CC(C)CCN(C)N=O |
| InChIKey | ZOFBDHIULJKKCB-UHFFFAOYSA-N |
Product Overview
Methylisoamylnitrosamine (CAS 356067-72-6), with molecular formula C6H14N2O and molecular weight 130.11 g/mol. IUPAC: N-methyl-N-(3-methylbutyl)nitrous amide.
Chemical Property Profile of Methylisoamylnitrosamine
Property Insights of Methylisoamylnitrosamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylisoamylnitrosamine. With a topological polar surface area (TPSA) of 32.7 Ų, Methylisoamylnitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylisoamylnitrosamine has 0 hydrogen bond donor(s) and 3 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 Methylisoamylnitrosamine?
The CAS number of Methylisoamylnitrosamine is 356067-72-6.
What is the molecular formula of Methylisoamylnitrosamine?
The molecular formula of Methylisoamylnitrosamine is C6H14N2O.
What is the molecular weight of Methylisoamylnitrosamine?
The molecular weight of Methylisoamylnitrosamine is 130.11 g/mol.
Where can I buy Methylisoamylnitrosamine?
You can request a quote for Methylisoamylnitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylisoamylnitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Methylisoamylnitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.