N-(2-aminoethyl)acetamide (HCID 66082)

概要

structure in first source

名称と識別子

優先名称: N-(2-aminoethyl)acetamide
IUPAC: N-(2-aminoethyl)acetamide
現地名: N-アセチルエチレンジアミン
英語名: N-Acetylethylenediamine
分子式: C4H10N2O
分子量: 102.14

名称と別名

N-(2-Aminoethyl)acetamide1001-53-2FQL33V3KZDNSC-28936DTXSID40142938RefChem:824961DTXCID1065429629-566-2N-AcetylethylenediamineAcetamide, N-(2-aminoethyl)-N-(2-Amino-ethyl)-acetamideMFCD00008163

名称をさらに表示

N-アセチルエチレンジアミンN-アセチル-1,2-エタンジアミンN-(2-アミノエチル)アセトアミド2-(acetamido)ethylamineN-(2-azanylethyl)ethanamideN-Acetyletylenediamine2-(Acetamino)ethylamineA**N-AcetylethylenediamineN-Acetylethylenediamine >

UNII-FQL33V3KZD2-acetamidoethylamineN-acetyl-ethylenediamineN-acetylethylene-diamineN-ACETYL-1,2-ETHANEDIAMINENSC 28936N-Monoacetylethylenediamine2-(acetylamino)-ethylamine

データベース識別子

CAS: 1001-53-2
PubChem CID: 66082
DTXSID: DTXSID40142938
UNII: FQL33V3KZD
EC Number: 629-566-2
Nikkaji: J35.908D

物性

構造計算による物性

XLogP: -1.4
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 62.7

物理化学的性質

融点: 50 °C · 50 °C (lit.)
沸点: 128 °C/3 · 128 °C/3 mmHg (lit.)
比重(密度): 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.485(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 15.97 · 15.97±0.46(Predicted)
色: 白色から黄色の低融点
BRN: 1743120 · 1743120
InChI: 1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)
InChIKey: DAKZISABEDGGSV-UHFFFAOYSA-N
SMILES: CC(=O)NCCN
CAS データベース: 1001 · 1001-53-2(CAS DataBase Reference)
NISTの化学物質情報: N-Acetylethylenediamine(1001-53-2)

化学的性質

化学的特性White to yellow crystalline solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (13.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationCommission Regulation No 844/2012

Hazard Classes and CategoriesSkin Corr. 1C (13.3%)

安全データ

F: 3
wgk: 3
ridadr: 3259
hs_code: 29241990
risk_code: 34
化審法: (2)-722
safety_code: 23-24/25-36/37/39-26
hazard_class: 8
packing_group: III
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用N-(2-Aminoethyl)acetamide may be used in the preparation of mixed two-component monolayers on glassy carbon. It may be used in the synthesis of lysidine.

一般的な説明N-(2-Aminoethyl)acetamide is an organic building block.

調製方法 · 1 件

純化方法The acetyl-diamine has been fractionated under reduced pressure and fraction b 125-130o/5mm was refractionated, fraction b 132-135o/4mm was collected and solidified. It is a low melting hygroscopic solid which can be recrystallised from dioxane/Et2O. It is soluble in H2O, Et2O and *C6H6. The p-toluenesulfonate salt can be recrystallised from EtOH/EtOAc (1:8), has m 125-126o but the free base cannot be recovered from it by basifying and extracting with CH2Cl2. The picrate has m 175o (from EtOH) [Aspinall J Am Chem Soc 63 853 1941, Hall J Am Chem Soc 78 2570 1956]. [Beilstein 4 IV 1193.]