Ethylacetamide (HCID 12253)

概要

N-ethylacetamide is a member of the class of acetamides that is the N-ethyl derivative of acetamide. It has a role as a metabolite.

名称と識別子

優先名称: Ethylacetamide
IUPAC: N-ethylacetamide
現地名: N-エチルアセトアミド
英語名: N-Ethylacetamide
分子式: C4H9NO
分子量: 87.12

名称と別名

N-ETHYLACETAMIDE625-50-3Acetamide, N-ethyl-AcetamidoethaneEthylacetamideAcetoethylamideM9Y95ZE6J9NSC-406307DTXSID5060803CHEBI:87370RefChem:163333DTXCID7043370

名称をさらに表示

N-エチルアセトアミドN-アセチルエチルアミンN-エチルアセトアミド, 99%acetylethylaminen-ethyl-acetamid

210-896-7N-AcetylethylamineN-AethylacetamidN-Ethyl-acetamideMFCD00009029N-ethylethanamideBRN 0969292UNII-M9Y95ZE6J9

データベース識別子

CAS: 625-50-3
PubChem CID: 12253
DTXSID: DTXSID5060803
ChEBI: CHEBI:87370
UNII: M9Y95ZE6J9
EC Number: 210-896-7
Nikkaji: J26.738D

物性

構造計算による物性

XLogP: -0.1
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 51.5

実験および物理化学的性質

SolventsSolvents -> Amides (<C10)

SpringerMaterials PropertiesDensity

Boiling Point205.00 °C. @ 760.00 mm Hg

Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -32 °C · -32°C
沸点: 90 · 90-92 °C/8 mmHg (lit.)
比重(密度): 0.924 g/mL · 0.924 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.433(lit.)
闪点: 224 °F · 224 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 16.62 · 16.62±0.46(Predicted)
色: Colorless to Almost colorless
水溶解度: 水に完全に混和します。
BRN: 969292 · 969292
InChI: 1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
InChIKey: PMDCZENCAXMSOU-UHFFFAOYSA-N
SMILES: CCNC(C)=O
LogP: -0.52 · -0.520 (est)
CAS データベース: 625 · 625-50-3(CAS DataBase Reference)
NISTの化学物質情報: Acetamide, N-ethyl-(625-50-3)
EPAの化学物質情報: Acetamide, N-ethyl- (625-50-3)

化学的性質

化学的特性colorless or slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 145 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Acetamide, N-ethyl-

Status: Active Update: 13-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30275

N-Ethylacetamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryCauses somnolence in intraperitoneal lethal-dose studies of mice (LD50 = 3,560 mg/kg); [RTECS] May cause irritation; [Alfa Aesar MSDS] See Dimethyl acetamide.

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AB8500000
hs_code: 29241990
risk_code: 22
化審法: (2)-3165
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 23-24/25
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

General Manufacturing InformationAcetamide, N-ethyl-: ACTIVE

応用分野 · 2 件

使用N-ethylacetamide is a suitable nylon model for mechanistic studies of dye fading. N-Ethylacetamide was used to investigate propylene carbonate and a mixture of N-methylformamide and N-ethylacetamide by broadband dielectric and mechanical shear spectroscopy. It was used in determination of reaction products of OH-oxidation of N-methylpyrrolidone under atmospheric conditions.

一般的な説明N-Ethylacetamide is a suitable nylon model for mechanistic studies of dye fading.