50679-08-8
Product Name:
Terfenadine
Formula:
C32H41NO2
Synonyms:
α-[4-(1,1-Dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White to off-white crystalline powder |
| Melting Point | 147 °C |
| Solubility | 0.0963 mg/L (at 25 °C) |
| LogP | 7.1 |
| Ionization Efficiency | Positive |
| Dissociation Constants | 9.86 |
| Collision Cross Section | 229.8 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H413:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 471.7 g/mol |
|---|---|
| XLogP3 | 6.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 471.313729551 g/mol |
| Monoisotopic Mass | 471.313729551 g/mol |
| Topological Polar Surface Area | 43.7 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 582 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Terfenadine is a diarylmethane.