(S)-1-(4-ピリジニル)エチルアミン DIHYDROCHLORIDE

1-(Pyridin-4-yl)ethan-1-amine

HCID 247998

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 27854-96-2
標準SMILES: CC(N)c1ccncc1
InChIKey: HIZMJYQEHFJWQY-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-4-yl)ethan-1-amine
IUPAC: 1-pyridin-4-ylethanamine
現地名: (S)-1-(4-ピリジニル)エチルアミン DIHYDROCHLORIDE
英語名: methyl-pyridin-4-ylmethyl-amine
分子式: C7H10N2
分子量: 122.17

名称と別名

1-(Pyridin-4-Yl)Ethan-1-AmineDTXSID90950525RefChem:428581DTXCID10872452624-173-227854-96-21-(4-pyridyl)ethylamine50392-78-41-Pyridin-4-yl-ethylamine1-(pyridin-4-yl)ethanamine1-pyridin-4-ylethanamine4-(1-Aminoethyl)pyridine

名称をさらに表示

(S)-1-(4-ピリジニル)エチルアミン DIHYDROCHLORIDE(S)-1-(Pyridin-4-yl)ethan-1-amine(S)-1-(pyridin-4-yl)ethanamine(S)-1-(4-Pyridyl)ethylaMine(1S)-1-(4-Pyridyl)ethylamine(S)-1-(4-Pyridinyl)ethylaMine(1S)-1-(pyridin-4-yl)ethan-1-amine(αS)-α-Methyl-4-pyridinemethanamine4-Pyridinemethanamine, α-methyl-, (αS)-

MFCD02245004SCHEMBL225809HMS1697I11AKOS000264434SY005514AB01160993-03(1R)-1-pyridin-4-ylethanaminealpha-Methyl-4-pyridinemethylamine

データベース識別子

CAS: 27854-96-2、50392-78-4
PubChem CID: 247998
DTXSID: DTXSID90950525
EC Number: 624-173-2

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: 77

物理化学的性質

沸点: 221.1 · 221.1±15.0 °C(Predicted)
比重(密度): 1.018 · 1.018±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): 8.28 · 8.28±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.