1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)
TL;DR: 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) (CAS 84153-82-2) is a chemical compound with molecular formula C4H9ClF3N and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobutan-1-amine;hydrochloride
Also Known As: 4,4,4-trifluorobutan-1-amine Hydrochloride, 4,4,4-Trifluorobutylamine hydrochloride, 4,4,4-trifluorobutan-1-amine;hydrochloride, 4,4,4-trifluoro-1-butanamine, 1-Butanamine,4,4,4-trifluoro-, hydrochloride (1:1)
| Molecular Formula | C4H9ClF3N |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 1.7094 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.03757 |
| Heavy Atoms | 9 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 84153-82-2 |
|---|---|
| SMILES | C(CC(F)(F)F)CN.Cl |
| InChIKey | QOTKGSVSGMIHGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) (CAS 84153-82-2), with molecular formula C4H9ClF3N and molecular weight 163.04 g/mol. IUPAC: 4,4,4-trifluorobutan-1-amine;hydrochloride.
Chemical Property Profile of 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)
Property Insights of 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)
The XLogP value of 1.7094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 26.0 Ų, 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) has 2 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 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)?
The CAS number of 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) is 84153-82-2.
What is the molecular formula of 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)?
The molecular formula of 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) is C4H9ClF3N.
What is the molecular weight of 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)?
The molecular weight of 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) is 163.04 g/mol.
Where can I buy 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)?
You can request a quote for 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.