2-(2-フルオロフェニル)プロパン-2-アミン塩酸塩

2-(2-Fluorophenyl)propan-2-amine

HCID 13569520

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 74702-88-8
標準SMILES: CC(C)(N)c1ccccc1F
InChIKey: KAQOIUQXYMVFJE-UHFFFAOYSA-N
分子式: C9H12FN
平均分子量: 153.2 g/mol
単同位体質量: 153.09537755

名称と識別子

優先名称: 2-(2-Fluorophenyl)propan-2-amine
IUPAC: 2-(2-fluorophenyl)propan-2-amine
現地名: 2-(2-フルオロフェニル)プロパン-2-アミン塩酸塩
英語名: 2-(2-Fluorophenyl)propan-2-amine hydrochloride
分子式: C9H12FN
分子量: 153.2

名称と別名

2-(2-fluorophenyl)propan-2-amine74702-88-8RefChem:453897845-007-71-(2-fluorophenyl)-1-methylethylamine2-(2-Fluorophenyl)propane-2-amineSCHEMBL1239429SCHEMBL18706010SCHEMBL28186451SCHEMBL30017695KAQOIUQXYMVFJE-UHFFFAOYSA-NMFCD09904468

名称をさらに表示

2-Fluoro-α,α-dimethylbenzenemethanamineBenzenemethanamine, 2-fluoro-α,α-dimethyl-2-(2-Fluorophenyl)propan-2-amine hydrochloride

XH06972-(2-fluorophenyl) propane-2-amineAKOS009996386AT39846BS-29454CS-0207534EN300-221379F891407

データベース識別子

CAS: 74702-88-8
PubChem CID: 13569520
EC Number: 845-007-7
Nikkaji: J3.449.068F

物性

構造計算による物性

XLogP: 1.5
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 134

物理化学的性質

沸点: 211.9 · 211.9±15.0 °C(Predicted)
比重(密度): 1.038 · 1.038±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 8.94 · 8.94±0.10(Predicted)
外見: solid
InChI: 1S/C9H12FN.ClH/c1-9(2,11)7-5-3-4-6-8(7)10;/h3-6H,11H2,1-2H3;1H
InChIKey: AHBFSGXQHBVNGF-UHFFFAOYSA-N
SMILES: NC(C)(C)C1=CC=CC=C1F.Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.