687603-66-3
Product Name:
1-(1,3-Benzodioxol-5-yl)-2-(1-pyrrolidinyl)-1-pentanone
Formula:
C16H21NO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White or light tan powder |
|---|---|
| Melting Point | MW 311.80; MP: 238-239 °C with decomposition; Soluble in chloroform, methanol, deionized water /3,4-Methylenedioxypyrovalerone hydrochloride/ |
| Collision Cross Section | 166.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 275.34 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 275.15214353 g/mol |
| Monoisotopic Mass | 275.15214353 g/mol |
| Topological Polar Surface Area | 38.8 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 341 |
| 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
A propiophenone derivative chemically related to cathinone, a substance found in the KHAT plant.