α-(Aminomethyl)benzylalkohol
Phenylethanolamine
Grundinformationen
- CAS
7568-93-6- Standard-SMILES
NCC(O)c1ccccc1- InChIKey
ULSIYEODSMZIPX-UHFFFAOYSA-N- Summenformel
- C8H11NO
- Durchschnittliche Molmasse
- 137,18 g/mol
- Monoisotopische Masse
- 137,08406397
Überblick
Phenylethanolamine is the simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. It has a role as a human metabolite. It is a conjugate base of a phenylethanolaminium.
Namen und Bezeichner
- Bevorzugter Name
- Phenylethanolamine
- IUPAC
- 2-amino-1-phenylethanol
- Lokaler Name
- α-(Aminomethyl)benzylalkohol
- Englischer Name
- 2-Amino-1-phenylethanol
- Summenformel
- C8H11NO
- Molmasse
- 137.18
Namen und Synonyme
2-Amino-1-phenylethanolphenylethanolamineBisnorephedrinePhenethanolamine2-Hydroxy-2-phenylethylamine2-amino-1-phenylethan-1-olbeta-Hydroxyphenethylamine2-Phenyl-2-hydroxyethylaminebeta-Phenethanolaminealpha-(Aminomethyl)benzyl alcoholapophedrin2-Amino-1-phenyl-1-ethanol
Weitere Namen anzeigen
231-469-1NorphedrinS/R-PHENYLGLYCINOL(-)-N-Boc-D-αβ-PhenethanolamineRARECHEM AL BW 0092
Ethanol, 2-amino-1-phenyl-beta-Phenylethanolamine.beta.-Phenethanolaminebeta-Hydroxy-beta-phenylethylamine1-phenyl-2-aminoethanol(+-)-alpha-Phenylglycinolalpha-(aminomethyl)benzenemethanol.beta.-Hydroxyphenethylamine
Datenbank-Bezeichner
- CAS
7568-93-6- PubChem CID
- 1000
- DTXSID
DTXSID10864094
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 89,3
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Ethanolamines
DrugsPharmaceutical
Solubility45.8 mg/mL
Melting Point56.5 °C
Vapor Pressure0.00132 [mmHg]
Physical Description
Pale yellow solid; [Merck Index] Light yellow solidified mass or fragments; [Sigma-Aldrich MSDS]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 56 · 56-58 °C (lit.)
- Siedepunkt
- 160 °C/17 · 160 °C/17 mmHg (lit.)
- Dichte
- 1.063 · 1.0630 (rough estimate)
- Brechungsindex
- 1.558 · 1.558-1.56
- storage temp.
- Refrigerator
- Löslichkeit
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: Benzenemethanol, .alpha.-(aminomethyl)-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See N-Phenylethanolamine.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3259
- hs_code
- 29221990
- RTECS-Nr.
- DN5500000
- risk_code
- 36/37/38
- hazard_code
- Xi,C
- hazard_note
- Corrosive
- safety_code
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsTestis
Verwendung und Herstellung
Uses
Simple amine found in the brain. It may be modulator of sympathetic functions. Its derivatives are adrenergic agonists and antagonists. It is also used in chemical industry. [ChemIDplus] Used as a stopping agent in polymerization of styrene-butadiene rubber, for hardening waxes, and to make pressor amines; The sulfate is used as a topical vasoconstrictor; [Merck Index]
General Manufacturing InformationBenzenemethanol, .alpha.-(aminomethyl)-: ACTIVE
Anwendungen
Verwenden2-Amino-1-phenylethanol is an intermediate in the manufacturing of pressor amines. The sulfate salt is used as topical vasoconstrictor.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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