4-羟基苄胺
TL;DR: 4-羟基苄胺 (CAS 696-60-6) is a chemical compound with molecular formula C7H9NO and molecular weight 123.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基苄胺
4-(aminomethyl)phenol
Also Known As: 4-Hydroxybenzylamine, 4-(aminomethyl)phenol, 4-Aminomethyl-phenol, para-Hydroxybenzylamine, 4-aminomethylphenol
| Molecular Formula | C7H9NO |
|---|---|
| Molecular Weight | 123.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.06841 |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
| Melting Point | 114 - 115 °C |
Chemical Identifiers
| CAS Number | 696-60-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CN)O |
| InChIKey | RQJDUEKERVZLLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基苄胺 (CAS 696-60-6), with molecular formula C7H9NO and molecular weight 123.07 g/mol. IUPAC: 4-(aminomethyl)phenol.
Chemical Property Profile of 4-羟基苄胺
Property Insights of 4-羟基苄胺
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基苄胺. With a topological polar surface area (TPSA) of 46.3 Ų, 4-羟基苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基苄胺 has 2 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 4-羟基苄胺?
The CAS number of 4-羟基苄胺 is 696-60-6.
What is the molecular formula of 4-羟基苄胺?
The molecular formula of 4-羟基苄胺 is C7H9NO.
What is the molecular weight of 4-羟基苄胺?
The molecular weight of 4-羟基苄胺 is 123.07 g/mol.
Where can I buy 4-羟基苄胺?
You can request a quote for 4-羟基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基苄胺?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.