2-(1-アミノエチル)ピリジン

1-(Pyridin-2-yl)ethan-1-amine

HCID 541877

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 42088-91-5
標準SMILES: CC(N)c1ccccn1
InChIKey: PDNHLCRMUIGNBV-UHFFFAOYSA-N
分子式: C7H10N2
平均分子量: 122.17 g/mol
単同位体質量: 122.08439832

名称と識別子

優先名称: 1-(Pyridin-2-yl)ethan-1-amine
IUPAC: 1-pyridin-2-ylethanamine
現地名: 2-(1-アミノエチル)ピリジン
英語名: 1-PYRIDIN-2-YL-ETHYLAMINE
分子式: C7H10N2
分子量: 122.17

名称と別名

1-(pyridin-2-yl)ethan-1-amineRefChem:428522640-812-842088-91-51-Pyridin-2-yl-ethylamine1-(2-Pyridyl)ethylamine1-(pyridin-2-yl)ethanamine1-pyridin-2-ylethanamine2-(1-Aminoethyl)pyridine1-(2-PYRIDINYL)ETHYLAMINE1-(2-Pyridinyl)ethanamine(1-pyridin-2-ylethyl)amine

名称をさらに表示

1-(2-ピリジル)エタンアミン1-(2-ピリジル)エチルアミン2-(1-アミノエチル)ピリジン1-(ピリジン-2-イル)エタン-1-アミン2-Pyridinemethanamine, α-methyl-Pyridine-2-Ethyl AMine1-(2-Pyridyl)ethaneamineα-Methyl-2-pyridinemethanamine

MFCD05215238(1-pyridin-2-yl)ethylamine2-(1-Aminoethyl)pyridine, 97%1-(2-PYRIDYL)-1-ETHANAMINE1-(2-pyridyl)ethanamine1-(Pyridin-2-yl)ethylamine1-PYRIDINE-2-YL-ETHYLAMINE2-Pyridinemethanamine, .alpha.-methyl-

データベース識別子

CAS: 42088-91-5
PubChem CID: 541877
DTXSID: DTXSID90962269
EC Number: 640-812-8
Nikkaji: J101.103K

物性

構造計算による物性

XLogP: 0.1
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: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 83

物理化学的性質

沸点: 197 · 197-201 °C
比重(密度): 1.002 g/mL · 1.002 g/mL at 25 °C
屈折率: 20 · n20/D1.528
闪点: 78 ℃ · 78℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: liquid
酸解離定数(Pka): 9.05 · 9.05±0.39(Predicted)
色: Colourless to light brown
InChI: InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3
InChIKey: PDNHLCRMUIGNBV-UHFFFAOYSA-N
SMILES: NC(C1=NC=CC=C1)C
CAS データベース: 42088 · 42088-91-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (89.4%)

安全データ

wgk: nwg
ridadr: UN2735
hs_code: 2933399990
risk_code: 25-37/38-41
hazard_code: T,Xi
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects