CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | SILKY, TETRAGONAL NEEDLES FROM EVAPORATING ALCOHOL |
|---|---|
| Melting Point | 108.5 °C |
| Solubility | 3560 mg/L (at 20 °C) |
| LogS | -1.91 |
| Stability/Shelf Life | AFFECTED BY LIGHT & HEAT |
| Optical Rotation | SPECIFIC OPTICAL ROTATION (ALCOHOL): -21.0 DEG AT 20 °C/D |
| Dissociation Constants | 11.7 |
| Collision Cross Section | 169.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | EASILY RACEMIZED |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P284:Wear respiratory protection. P307+P311:IF exposed: call a POISON CENTER or doctor/physician. P405:Store locked up. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 289.4 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 289.16779360 g/mol |
| Monoisotopic Mass | 289.16779360 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 353 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(S)-atropine is an atropine with a 2S-configuration. It is functionally related to a (S)-tropic acid. It is a conjugate base of a (S)-atropinium.