3-甲基苯乙胺
TL;DR: 3-甲基苯乙胺 (CAS 5470-40-6) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基苯乙胺
2-(3-methylphenyl)ethanamine
Also Known As: 3-Methylphenethylamine, 2-(m-Tolyl)ethanamine, 2-m-tolyl-ethylamine, 2-m-tolylethanamine, 2-(3-methylphenyl)ethanamine
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 5470-40-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CCN |
| InChIKey | GUERDLPJJJMIEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基苯乙胺 (CAS 5470-40-6), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 2-(3-methylphenyl)ethanamine.
Chemical Property Profile of 3-甲基苯乙胺
Property Insights of 3-甲基苯乙胺
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基苯乙胺. With a topological polar surface area (TPSA) of 26.0 Ų, 3-甲基苯乙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基苯乙胺 has 1 hydrogen bond donor(s) and 1 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-甲基苯乙胺?
The CAS number of 3-甲基苯乙胺 is 5470-40-6.
What is the molecular formula of 3-甲基苯乙胺?
The molecular formula of 3-甲基苯乙胺 is C9H13N.
What is the molecular weight of 3-甲基苯乙胺?
The molecular weight of 3-甲基苯乙胺 is 135.10 g/mol.
Where can I buy 3-甲基苯乙胺?
You can request a quote for 3-甲基苯乙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基苯乙胺?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基苯乙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.