1-(3-Amino-4-(methylamino)phenyl)ethanone
TL;DR: 1-(3-Amino-4-(methylamino)phenyl)ethanone (CAS 18076-19-2) 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.
1-[3-amino-4-(methylamino)phenyl]ethanone
Also Known As: 1-(3-Amino-4-(methylamino)phenyl)ethanone, 1-[3-amino-4-(methylamino)phenyl]ethanone, 1-[3-amino-4-(methylamino)phenyl]-1-ethanone, 3'-Amino-4'-(methylamino)acetophenone, 1-[3-Amino-4-(methylamino)phenyl]ethan-1-one
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.5131 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 307.39688 |
Chemical Identifiers
| CAS Number | 18076-19-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)NC)N |
Product Overview
1-(3-Amino-4-(methylamino)phenyl)ethanone (CAS 18076-19-2), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: 1-[3-amino-4-(methylamino)phenyl]ethanone.
Chemical Property Profile of 1-(3-Amino-4-(methylamino)phenyl)ethanone
Property Insights of 1-(3-Amino-4-(methylamino)phenyl)ethanone
The XLogP value of 1.5131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Amino-4-(methylamino)phenyl)ethanone. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(3-Amino-4-(methylamino)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Amino-4-(methylamino)phenyl)ethanone has 2 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 1-(3-Amino-4-(methylamino)phenyl)ethanone?
The CAS number of 1-(3-Amino-4-(methylamino)phenyl)ethanone is 18076-19-2.
What is the molecular formula of 1-(3-Amino-4-(methylamino)phenyl)ethanone?
The molecular formula of 1-(3-Amino-4-(methylamino)phenyl)ethanone is C9H12N2O.
What is the molecular weight of 1-(3-Amino-4-(methylamino)phenyl)ethanone?
The molecular weight of 1-(3-Amino-4-(methylamino)phenyl)ethanone is 164.09 g/mol.
Where can I buy 1-(3-Amino-4-(methylamino)phenyl)ethanone?
You can request a quote for 1-(3-Amino-4-(methylamino)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Amino-4-(methylamino)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Amino-4-(methylamino)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.