4-甲基苄胺
TL;DR: 4-甲基苄胺 (CAS 104-84-7) is a chemical compound with molecular formula C8H11N and molecular weight 121.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基苄胺
(4-methylphenyl)methanamine
Also Known As: 4-Methylbenzylamine, p-Methylbenzylamine, p-tolylmethanamine, p-Xylylamine, (4-Methylphenyl)methanamine
| Molecular Formula | C8H11N |
|---|---|
| Molecular Weight | 121.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.08915 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
| Vapor Pressure | 0.29 [mmHg] |
Chemical Identifiers
| CAS Number | 104-84-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN |
| InChIKey | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基苄胺 (CAS 104-84-7), with molecular formula C8H11N and molecular weight 121.09 g/mol. IUPAC: (4-methylphenyl)methanamine.
Chemical Property Profile of 4-甲基苄胺
Property Insights of 4-甲基苄胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基苄胺. With a topological polar surface area (TPSA) of 26.0 Ų, 4-甲基苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基苄胺 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 4-甲基苄胺?
The CAS number of 4-甲基苄胺 is 104-84-7.
What is the molecular formula of 4-甲基苄胺?
The molecular formula of 4-甲基苄胺 is C8H11N.
What is the molecular weight of 4-甲基苄胺?
The molecular weight of 4-甲基苄胺 is 121.09 g/mol.
Where can I buy 4-甲基苄胺?
You can request a quote for 4-甲基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基苄胺?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.