CHEMICAL AND PHYSICAL PROPERTIES
| Boiling Point | 165-170 °C @ 0.01 MM OF HG |
|---|---|
| Melting Point | 90-95 |
| Solubility | 1 g/10 ml |
| Collision Cross Section | 175.5 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2230 2230 2250 2275 2232 |
| Other Experimental Properties | CRYSTALS; MP: 93 °C; FREELY SOL IN WATER, CHLOROFORM; SOL IN ALC, ACETONE, ETHYL ACETATE; PRACTICALLY INSOL IN ETHER, PETROLEUM ETHER, BENZENE /CITRATE/ |
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. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 333.5 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 333.23039385 g/mol |
| Monoisotopic Mass | 333.23039385 g/mol |
| Topological Polar Surface Area | 38.8 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 356 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester is a member of benzenes.