4-(三氟甲基)苄胺
TL;DR: 4-(三氟甲基)苄胺 (CAS 3300-51-4) is a chemical compound with molecular formula C8H8F3N and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(三氟甲基)苄胺
[4-(trifluoromethyl)phenyl]methanamine
Also Known As: 4-(Trifluoromethyl)benzylamine, 4-(trifluoromethyl)benzyl amine, 4-Trifluoromethylbenzylamine, [4-(Trifluoromethyl)phenyl]methanamine, Benzylamine der
| Molecular Formula | C8H8F3N |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.06088 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 3300-51-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CN)C(F)(F)F |
| InChIKey | PRDBLLIPPDOICK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(三氟甲基)苄胺 (CAS 3300-51-4), with molecular formula C8H8F3N and molecular weight 175.06 g/mol. IUPAC: [4-(trifluoromethyl)phenyl]methanamine.
Chemical Property Profile of 4-(三氟甲基)苄胺
Property Insights of 4-(三氟甲基)苄胺
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(三氟甲基)苄胺. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(三氟甲基)苄胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(三氟甲基)苄胺 has 1 hydrogen bond donor(s) and 4 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-(三氟甲基)苄胺?
The CAS number of 4-(三氟甲基)苄胺 is 3300-51-4.
What is the molecular formula of 4-(三氟甲基)苄胺?
The molecular formula of 4-(三氟甲基)苄胺 is C8H8F3N.
What is the molecular weight of 4-(三氟甲基)苄胺?
The molecular weight of 4-(三氟甲基)苄胺 is 175.06 g/mol.
Where can I buy 4-(三氟甲基)苄胺?
You can request a quote for 4-(三氟甲基)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-(三氟甲基)苄胺?
Yes, KEHONG BIO provides custom synthesis services for 4-(三氟甲基)苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.