3-Methyl-4-(4-methylpiperazin-1-yl)aniline
TL;DR: 3-Methyl-4-(4-methylpiperazin-1-yl)aniline (CAS 681004-50-2) is a chemical compound with molecular formula C12H19N3 and molecular weight 205.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(4-methylpiperazin-1-yl)aniline
Also Known As: 3-methyl-4-(4-methylpiperazin-1-yl)aniline, 3-METHYL-4-(4-METHYL-1-PIPERAZINYL)ANILINE, Benzenamine, 3-methyl-4-(4-methyl-1-piperazinyl)-, 3-ethyl-4-(4-ethylpiperazin-1-l)niline, 4-(4-Methylpiperazinyl)-3-Methylaniline
| Molecular Formula | C12H19N3 |
|---|---|
| Molecular Weight | 205.16 g/mol |
| LogP | 1.32902 |
| Topological Polar Surface Area | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.1579 |
| Heavy Atoms | 15 |
| Complexity | 340.72052 |
Chemical Identifiers
| CAS Number | 681004-50-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)N2CCN(CC2)C |
Product Overview
3-Methyl-4-(4-methylpiperazin-1-yl)aniline (CAS 681004-50-2), with molecular formula C12H19N3 and molecular weight 205.16 g/mol. IUPAC: 3-methyl-4-(4-methylpiperazin-1-yl)aniline.
Chemical Property Profile of 3-Methyl-4-(4-methylpiperazin-1-yl)aniline
Property Insights of 3-Methyl-4-(4-methylpiperazin-1-yl)aniline
The XLogP value of 1.32902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-(4-methylpiperazin-1-yl)aniline. With a topological polar surface area (TPSA) of 32.5 Ų, 3-Methyl-4-(4-methylpiperazin-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-(4-methylpiperazin-1-yl)aniline has 1 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 3-Methyl-4-(4-methylpiperazin-1-yl)aniline?
The CAS number of 3-Methyl-4-(4-methylpiperazin-1-yl)aniline is 681004-50-2.
What is the molecular formula of 3-Methyl-4-(4-methylpiperazin-1-yl)aniline?
The molecular formula of 3-Methyl-4-(4-methylpiperazin-1-yl)aniline is C12H19N3.
What is the molecular weight of 3-Methyl-4-(4-methylpiperazin-1-yl)aniline?
The molecular weight of 3-Methyl-4-(4-methylpiperazin-1-yl)aniline is 205.16 g/mol.
Where can I buy 3-Methyl-4-(4-methylpiperazin-1-yl)aniline?
You can request a quote for 3-Methyl-4-(4-methylpiperazin-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(4-methylpiperazin-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(4-methylpiperazin-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.