125-51-9
Product Name:
BENZILIC ACID 1-ETHYLPIPERIDIN-3-YL ESTER METHOBROMIDE
Formula:
C22H28BrNO3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 183.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 434.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 433.12526 g/mol |
| Monoisotopic Mass | 433.12526 g/mol |
| Topological Polar Surface Area | 46.5 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |