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) |
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Collision Cross Section | 172.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
Signal word | Warning |
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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 |
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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 |