3-(アミノメチル)-5-フルオロピリジン

(5-Fluoropyridin-3-yl)methanamine

HCID 45116207

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 23586-96-1
標準SMILES: NCc1cncc(F)c1
InChIKey: RYICOVXDBBDCNT-UHFFFAOYSA-N
分子式: C6H7FN2
平均分子量: 126.13 g/mol
単同位体質量: 126.05932644

名称と識別子

優先名称: (5-Fluoropyridin-3-yl)methanamine
IUPAC: (5-fluoro-3-pyridinyl)methanamine
現地名: 3-(アミノメチル)-5-フルオロピリジン
英語名: 3-Pyridinemethanamine,5-fluoro-(9CI)
分子式: C6H7FN2
分子量: 126.13

名称と別名

(5-fluoropyridin-3-yl)methanamineRefChem:404049802-054-823586-96-13-Aminomethyl-5-fluoropyridine(5-Fluoropyridin-3-yl)methylamine3-Pyridinemethanamine, 5-fluoro-MFCD084504243-(Aminomethyl)-5-fluoropyridine1-(5-FLUOROPYRIDIN-3-YL)METHANAMINE(5-fluoro-3-pyridyl)methanamine5-FLUORO-3-PYRIDINEMETHANAMINE

名称をさらに表示

3-(アミノメチル)-5-フルオロピリジン3-Fluor-5-(aminomethyl)py...3-Fluor-5-(aMinoMethyl)pyridine3-Pyridinemethanamine,5-fluoro-(5-fluoro-3-pyridinyl)methanamine3-Aminomethyl-5-fluoropyridine ,96%

SCHEMBL1645663-Aminomethyl-5-fluoro-pyridineDTXSID70668414RYICOVXDBBDCNT-UHFFFAOYSA-NYAA58696AKOS0052588563-Pyridinemethanamine,5-fluoro-(9CI)CS-W005699

データベース識別子

CAS: 23586-96-1
PubChem CID: 45116207
DTXSID: DTXSID70668414
EC Number: 802-054-8

物性

構造計算による物性

XLogP: -0.2
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: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 87.1

物理化学的性質

沸点: 93 · 93-94 °C(Press: 14 Torr)
比重(密度): 1.18 · 1.180±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): 7.73 · 7.73±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.