Boron, (benzenemethanamine)trifluoro-, (T-4)-
TL;DR: Boron, (benzenemethanamine)trifluoro-, (T-4)- (CAS 696-99-1) is a chemical compound with molecular formula C7H9BF3N and molecular weight 175.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenylmethanamine;trifluoroborane
Also Known As: (Benzylamine)trifluoroboron, phenylmethanamine;trifluoroborane, (Benzenemethanamine)trifluoroboron, Benzylamine, compd. with BF3, (Benzylammonio)trifluoroborate
| Molecular Formula | C7H9BF3N |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | 2.03 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07802 |
| Heavy Atoms | 12 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 696-99-1 |
|---|---|
| SMILES | B(F)(F)F.C1=CC=C(C=C1)CN |
| InChIKey | YRZFHTRSHNGOSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Boron, (benzenemethanamine)trifluoro-, (T-4)- (CAS 696-99-1), with molecular formula C7H9BF3N and molecular weight 175.08 g/mol. IUPAC: phenylmethanamine;trifluoroborane.
Chemical Property Profile of Boron, (benzenemethanamine)trifluoro-, (T-4)-
Property Insights of Boron, (benzenemethanamine)trifluoro-, (T-4)-
The XLogP value of 2.03 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boron, (benzenemethanamine)trifluoro-, (T-4)-. With a topological polar surface area (TPSA) of 26.0 Ų, Boron, (benzenemethanamine)trifluoro-, (T-4)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Boron, (benzenemethanamine)trifluoro-, (T-4)- 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 Boron, (benzenemethanamine)trifluoro-, (T-4)-?
The CAS number of Boron, (benzenemethanamine)trifluoro-, (T-4)- is 696-99-1.
What is the molecular formula of Boron, (benzenemethanamine)trifluoro-, (T-4)-?
The molecular formula of Boron, (benzenemethanamine)trifluoro-, (T-4)- is C7H9BF3N.
What is the molecular weight of Boron, (benzenemethanamine)trifluoro-, (T-4)-?
The molecular weight of Boron, (benzenemethanamine)trifluoro-, (T-4)- is 175.08 g/mol.
Where can I buy Boron, (benzenemethanamine)trifluoro-, (T-4)-?
You can request a quote for Boron, (benzenemethanamine)trifluoro-, (T-4)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boron, (benzenemethanamine)trifluoro-, (T-4)-?
Yes, KEHONG BIO provides custom synthesis services for Boron, (benzenemethanamine)trifluoro-, (T-4)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.