50-42-0
Product Name:
Adiphenine hydrochloride
Formula:
C20H25NO2.ClH
Synonyms:
Diphenylacetic acid 2-(diethylamino)ethyl ester
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >52.2 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 176.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 347.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 347.1652068 g/mol |
| Monoisotopic Mass | 347.1652068 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 311 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |