13900-12-4
Product Name:
2-DIETHYLAMINOETHYL 2-PHENYLBUTYRATE CITRATE SALT
Formula:
C22H33NO9
Synonyms:
2-Diethylaminoethyl 2-phenylbutyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >68.3 [ug/mL] (The mean of the results at pH 7.4) |
|---|
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
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 | 455.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 14 |
| Exact Mass | 455.21553163 g/mol |
| Monoisotopic Mass | 455.21553163 g/mol |
| Topological Polar Surface Area | 162 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 473 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |