2-Amino-1-(3-fluorophenyl)ethan-1-ol

HCID 35800CAS 402-96-0

基本情報

標準SMILES: NCC(O)c1cccc(F)c1
InChIKey: KLIPUNKCUPNMHM-UHFFFAOYSA-N
分子式: C8H10FNO
平均分子量: 155.17 g/mol
単同位体質量: 155.07464216

名称と識別子

優先名称: 2-Amino-1-(3-fluorophenyl)ethan-1-ol
IUPAC: 2-amino-1-(3-fluorophenyl)ethanol
英語名: 2-amino-1-(3-fluorophenyl)ethanol
分子式: C8H10FNO
分子量: 155.17

名称と別名

2-amino-1-(3-fluorophenyl)ethan-1-olRefChem:463084835-047-32-amino-1-(3-fluorophenyl)ethanol402-96-0MFCD09041574alpha-(Aminomethyl)-3-fluorobenzenemethanolSCHEMBL937543CHEMBL4563769SCHEMBL30288493DTXSID20275374KLIPUNKCUPNMHM-UHFFFAOYSA-N

名称をさらに表示

AKOS BBV-0028034-(amino(phenyl)methyl)-2-fluorophenolBENZENEMETHANOL, α-(AMINOMETHYL)-3-FLUORO-

AAA40296AKOS000123610AKOS0160513952-(3-fluorophenyl)-2-hydroxyethanamine2-hydroxy-2-(3-fluorophenyl)ethanamine|A-(Aminomethyl)-3-fluorobenzenemethanol2-hydroxy-2-(3-fluorophenyl) ethanamineAS-48381

データベース識別子

CAS: 402-96-0
PubChem CID: 35800
DTXSID: DTXSID20275374
ChEMBL: CHEMBL4563769
EC Number: 835-047-3
Nikkaji: J532.124G

物性

構造計算による物性

XLogP: 0.2
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 121

物理化学的性質

沸点: 287.4 · 287.4±25.0 °C(Predicted)
比重(密度): 1.208 · 1.208±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 11.77 · 11.77±0.35(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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.