5-(トリフルオロメチル)-2-ピリジンメタンアミン

[5-(Trifluoromethyl)pyridin-2-yl]methanamine

HCID 3796375CAS 164341-39-3

部分構造検索類似構造を探す

基本情報

標準SMILES: NCc1ccc(C(F)(F)F)cn1
InChIKey: HVQOLQUEKRHKKJ-UHFFFAOYSA-N
分子式: C7H7F3N2
平均分子量: 176.14 g/mol
単同位体質量: 176.05613288

名称と識別子

優先名称: [5-(Trifluoromethyl)pyridin-2-yl]methanamine
IUPAC: [5-(trifluoromethyl)-2-pyridinyl]methanamine
現地名: 5-(トリフルオロメチル)-2-ピリジンメタンアミン
英語名: 5-(Trifluoromethyl)-2-pyridinemethanamine
分子式: C7H7F3N2
分子量: 176.14

名称と別名

164341-39-3(5-(trifluoromethyl)pyridin-2-yl)methanamine[5-(trifluoromethyl)pyridin-2-yl]methanamine5-(TRIFLUOROMETHYL)-2-PYRIDINEMETHANAMINEDTXSID00396536RefChem:403710DTXCID90347395853-211-22-Pyridinemethanamine, 5-(trifluoromethyl)-2-Aminomethyl-5-(trifluoromethyl)pyridineMFCD04117761(5-Trifluoromethylpyridin-2-yl)methylamine

名称をさらに表示

5-(トリフルオロメチル)-2-ピリジンメタンアミンCAS:164341-39-3Methyl-(5-trifluoroMethyl-pyridin-2-yl)-aMine2-Aminomethyl-5-(trifluoromethyl)pyridine hydrochloride

C-(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-METHYLAMINE2-(Aminomethyl)-5-(trifluoromethyl)pyridine1-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]METHANAMINE[5-(trifluoromethyl)-2-pyridyl]methanamine[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]METHYLAMINE(5-(trifluoromethyl)pyridin-2-yl)methylamineC-(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)METHYLAMINE HCLSCHEMBL2550872

データベース識別子

CAS: 164341-39-3
PubChem CID: 3796375
DTXSID: DTXSID00396536
EC Number: 853-211-2

物性

構造計算による物性

XLogP: 0.6
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 146

物理化学的性質

沸点: 200.3 · 200.3±35.0 °C(Predicted)
比重(密度): 1.293 · 1.293±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 8.27 · 8.27±0.39(Predicted)

化学的性質

化学的特性white solid

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.