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73-05-2

73-05-2 structural image
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
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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