2-(2-アミノエチル)-1,3-ジオキソラン

1,3-Dioxolane-2-ethylamine

HCID 79827

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5754-35-8
標準SMILES: NCCC1OCCO1
InChIKey: JNAQYWWCTUEVKR-UHFFFAOYSA-N
分子式: C5H11NO2
平均分子量: 117.15 g/mol
単同位体質量: 117.07897859

名称と識別子

優先名称: 1,3-Dioxolane-2-ethylamine
IUPAC: 2-(1,3-dioxolan-2-yl)ethanamine
現地名: 2-(2-アミノエチル)-1,3-ジオキソラン
英語名: 2-(2-AMINOETHYL)-1,3-DIOXOLANE
分子式: C5H11NO2
分子量: 117.15

名称と別名

5754-35-81,3-dioxolane-2-ethanamine1,3-Dioxolane-2-ethylamineEINECS 227-277-2DTXSID70206158RefChem:414905DTXCID70128649227-277-22-(2-Aminoethyl)-1,3-dioxolane2-(1,3-dioxolan-2-yl)ethanamine2-(1,3-dioxolan-2-yl)ethan-1-amineMFCD00142756

名称をさらに表示

2-(2-アミノエチル)-1,3-ジオキソラン1,3-ジオキソラン-2-エタンアミン2-(1,3-ジオキソラン-2-イル)エタンアミン2-(1,3-ジオキソラン-2-イル)エタン-1-アミン2-(2-aminoethyl)-1,3-dioxypentane2-(2-Aminoethyl)-1,3-dioxolane >2-(2-AMINOETHYL)-13-DIOXOLANE, 97+%

SCHEMBL98162-[1,3]dioxolan-2-yl-ethylamineAKOS006229366BS-22731CS-0205328Aminoethyldioxolane3-Aminopropionaldehyde Cyclic Ethylene AcetalSCHEMBL4170931

データベース識別子

CAS: 5754-35-8
PubChem CID: 79827
DTXSID: DTXSID70206158
EC Number: 227-277-2
Nikkaji: J38.311B

物性

構造計算による物性

XLogP: -0.7
極性表面積: 44.5 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: 2
重原子数: 8
形式電荷: 0
複雑度: 61

物理化学的性質

沸点: 75 °C · 75 °C / 18mmHg
比重(密度): 1 · 1,07 g/cm3
屈折率: 1.451 · 1.4510-1.4540
貯蔵温度: 2 · Keep in dark place,Sealed in dry,2-8°C
溶解性: ジクロロメタン、メタノール
外見: 油
酸解離定数(Pka): 10.33 · 10.33±0.10(Predicted)
色: 黄色
InChI: InChI=1S/C5H11NO2/c6-2-1-5-7-3-4-8-5/h5H,1-4,6H2
InChIKey: JNAQYWWCTUEVKR-UHFFFAOYSA-N
SMILES: O1CCOC1CCN
CAS データベース: 5754 · 5754-35-8(CAS DataBase Reference)

化学的性質

化学的特性Yellow Oil

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (66.7%)；Skin Irrit. 2 (33.3%)；Eye Dam. 1 (66.7%)；STOT SE 3 (66.7%)