2-Amino-1-(4-methylphenyl)ethan-1-one
TL;DR: 2-Amino-1-(4-methylphenyl)ethan-1-one (CAS 5467-70-9) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-methylphenyl)ethanone
Also Known As: 2-Amino-1-(p-tolyl)ethanone, 2-Amino-4'-methylacetophenone, 2-amino-1-(4-methylphenyl)ethanone, 4-METHYLPHENACYLAMINE, 2-amino-1-(4-methylphenyl)ethan-1-one
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 5467-70-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN |
| InChIKey | FUFAHIJREMQVPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-1-(4-methylphenyl)ethan-1-one (CAS 5467-70-9), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 2-amino-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2-Amino-1-(4-methylphenyl)ethan-1-one
Property Insights of 2-Amino-1-(4-methylphenyl)ethan-1-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-(4-methylphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 43.1 Ų, 2-Amino-1-(4-methylphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-1-(4-methylphenyl)ethan-1-one has 1 hydrogen bond donor(s) and 2 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 2-Amino-1-(4-methylphenyl)ethan-1-one?
The CAS number of 2-Amino-1-(4-methylphenyl)ethan-1-one is 5467-70-9.
What is the molecular formula of 2-Amino-1-(4-methylphenyl)ethan-1-one?
The molecular formula of 2-Amino-1-(4-methylphenyl)ethan-1-one is C9H11NO.
What is the molecular weight of 2-Amino-1-(4-methylphenyl)ethan-1-one?
The molecular weight of 2-Amino-1-(4-methylphenyl)ethan-1-one is 149.08 g/mol.
Where can I buy 2-Amino-1-(4-methylphenyl)ethan-1-one?
You can request a quote for 2-Amino-1-(4-methylphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-(4-methylphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(4-methylphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.