73-05-2
Product Name:
Phentolamine hydrochloride
Formula:
C17H20ClN3O
Synonyms:
2-[N-(3-Hydroxyphenyl)-p-toluidinomethyl]-2-imidazolidine hydrochloride;3-[[(4,5-Dihydro-1H-imidazol-2-yl)-methyl](4-methylphenyl)-amino]-phenol monohydrochloride
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >47.7 [ug/mL] (The mean of the results at pH 7.4) |
|---|---|
| Collision Cross Section | 172.1 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 |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 317.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 317.1294900 g/mol |
| Monoisotopic Mass | 317.1294900 g/mol |
| Topological Polar Surface Area | 47.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 363 |
| 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 |