CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Doxylamine is a clear colorless liquid. (NTP, 1992) |
|---|---|
| Color/Form | LIQ |
| Boiling Point | 279 to 286 °F at 0.5 mmHg (NTP, 1992) |
| Melting Point | < 25 °C |
| Solubility | 1 g/ml (succinate salt) |
| Vapor Pressure | Slightly volatile |
| LogP | 2.5 |
| Refractive Index | INDEX OF REFRACTION: CALCULATED 1.525 (ALPHA), 1.563 (BETA), 1.598 (GAMMA) |
| Collision Cross Section | 161.9 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 1925 1888 1945 1958 1917.7 1907.2 1926.3 1894.2 1888 1915 1920 1906 1968 1925.2 |
| Other Experimental Properties | WHITE OR CREAMY WHITE POWDER; CHARACTERISTIC ODOR /SUCCINATE/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P330:Rinse mouth. P362:Take off contaminated clothing and wash before reuse. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. 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 | 270.37 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 270.173213330 g/mol |
| Monoisotopic Mass | 270.173213330 g/mol |
| Topological Polar Surface Area | 25.4 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 276 |
| 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
Doxylamine is a clear colorless liquid. (NTP, 1992)