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62717-42-4

62717-42-4 structural image
Product Name: 2-phenyl-4-azabicyclo[5.4.0]undeca-7,9,11-triene-9,10-diol
Formula: C16H17NO2
Synonyms: (±)-1-Phenyl-2,3,4,5-tetrahydro-(1H)-3-benzazepine-7,8-diol hydrochloride
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >43.8 [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 P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 291.77 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 291.1026065 g/mol
Monoisotopic Mass 291.1026065 g/mol
Topological Polar Surface Area 52.5 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 291
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

PRODUCT INTRODUCTION

description

A selective D1 dopamine receptor agonist used primarily as a research tool.