N-methyl-N-nitrosobenzeneethanamine
TL;DR: N-methyl-N-nitrosobenzeneethanamine (CAS 13256-11-6) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N-(2-phenylethyl)nitrous amide
Also Known As: Nitrosomethyl-(2-phenylethyl)amine, Methylphenylethylnitrosamine, Phenethylamine, N-methyl-N-nitroso-, Methylphenethylnitrosamine, Methyl-phenylethyl-nitrosamine
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 13256-11-6 |
|---|---|
| SMILES | CN(CCC1=CC=CC=C1)N=O |
| InChIKey | AVESHLVLHJKUKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-methyl-N-nitrosobenzeneethanamine (CAS 13256-11-6), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: N-methyl-N-(2-phenylethyl)nitrous amide.
Chemical Property Profile of N-methyl-N-nitrosobenzeneethanamine
Property Insights of N-methyl-N-nitrosobenzeneethanamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N-nitrosobenzeneethanamine. With a topological polar surface area (TPSA) of 32.7 Ų, N-methyl-N-nitrosobenzeneethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N-nitrosobenzeneethanamine 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 N-methyl-N-nitrosobenzeneethanamine?
The CAS number of N-methyl-N-nitrosobenzeneethanamine is 13256-11-6.
What is the molecular formula of N-methyl-N-nitrosobenzeneethanamine?
The molecular formula of N-methyl-N-nitrosobenzeneethanamine is C9H12N2O.
What is the molecular weight of N-methyl-N-nitrosobenzeneethanamine?
The molecular weight of N-methyl-N-nitrosobenzeneethanamine is 164.09 g/mol.
Where can I buy N-methyl-N-nitrosobenzeneethanamine?
You can request a quote for N-methyl-N-nitrosobenzeneethanamine 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-nitrosobenzeneethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N-nitrosobenzeneethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.