2-Amino-1-(4-fluorophenyl)ethan-1-ol

2-Amino-1-(4-fluorophenyl)ethan-1-ol · 2-AMino-1-(4-fluorophenyl)ethanol HCl · α-(Aminomethyl)-4-fluorobenzyl alcohol · ɑ-(aminomethyl)-4-fluorobenzyl alcohol · BENZENEMETHANOL, α-(AMINOMETHYL)-4-FLUORO- · alpha-(Aminomethyl)-4-fluorobenzyl alcohol · 2-Amino-1-(4-fluorophenyl)ethan-1-ol, 4-Fluoro-beta-hydroxyphenethylamine

https://huagongshe.com/de/chemical/9827

Molekülstruktur von 2-Amino-1-(4-fluorophenyl)ethan-1-ol

Identifikatoren & physikalische Daten

CAS No.	456-05-3
Summenformel	C8H10FNO
Durchschnittliche Molmasse	155,17 g/mol
Monoisotopische Masse	155,07464216 g/mol
SMILES	NCC(O)c1ccc(F)cc1
InChIKey	LPKXWVNNGWDLMT-UHFFFAOYSA-N
PubChem CID	9827
EC No.	825-674-0
DTXSID	DTXSID00274502

Chemische & physikalische Eigenschaften

XLogP	0,2
Polarare Oberfläche (TPSA)	46,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	113
Collision Cross Section	128.72 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Schmelzpunkt	60~63℃
Siedepunkt	287.4±25.0 °C(Predicted)
Dichte	1.208±0.06 g/cm3(Predicted)
Lagerbedingungen	Store at Room Tem.
pKa (Säurekonstante)	11.97±0.35(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2906290090