Acetylglycine (HCID 10972)

概要

N-acetylglycine is an N-acylglycine where the acyl group is specified as acetyl. It has a role as a human metabolite. It is a N-acylglycine and a N-acetyl-amino acid. It is a conjugate acid of a N-acetylglycinate.

名称と識別子

優先名称: Acetylglycine
IUPAC: 2-acetamidoacetic acid
現地名: N-アセチルグリシン
英語名: N-Acetylglycine
分子式: C4H7NO3
分子量: 117.1

名称と別名

N-ACETYLGLYCINE543-24-82-Acetamidoacetic acidAceturic acidAcetamidoacetic acidAcetylglycineGlycine, N-acetyl-Acetylaminoacetic acidAcetylglycocollEthanoylaminoethanoic acidU2UT4677KRacetylaminoacetate

名称をさらに表示

N-アセチルグリシン2-アセチルアミノ酢酸アセツル酸(アセチルアミノ)酢酸アセチルアミノ酢酸アセトアミド酢酸N‐アセチルグリシン2-(アセチルアミノ)酢酸2-アセトアミド酢酸N-Ac-Gly-OHN-AceylglycineAC GLYNSC 7605AC-GLYCINEAKOS B029711

NSC-7605DTXSID2043793CHEBI:40410acetylglycinateRefChem:162741DTXCID0023793208-839-6Ac-Gly-OH

データベース識別子

CAS: 543-24-8
PubChem CID: 10972
DTXSID: DTXSID2043793
ChEMBL: CHEMBL289004
ChEBI: CHEBI:40410
UNII: U2UT4677KR
EC Number: 208-839-6
Nikkaji: J2.645J

物性

構造計算による物性

XLogP: -1.2
極性表面積: 66.4 Å²
水素結合供与体数: 2
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: 110

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesBoiling point

Solubility26.3 mg/mL at 15 °C

Melting Point207 - 209 °C

Physical Description · 2 件

Solid; [Merck Index] White powder; [Alfa Aesar MSDS]

Solid

物理化学的性質

融点: 207 · 207-209 °C (lit.)
沸点: 218.88 °C · 218.88°C (rough estimate)
比重(密度): 1.3886 · 1.3886 (rough estimate)
屈折率: 1.454 · 1.4540 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 26.3 g/リットル · 26.3g/リットル
酸解離定数(Pka): 3.669 · 3.669(at 25℃)
外見: 結晶性粉末
色: 白い
水溶解度: 2.7 g/100mL · 2.7g/100mL(15℃)
Merck: 14 · 14,80
BRN: 774114 · 774114
主な用途: 臨床検査
InChI: 1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
InChIKey: OKJIRPAQVSHGFK-UHFFFAOYSA-N
SMILES: CC(=O)NCC(O)=O
CAS データベース: 543 · 543-24-8(CAS DataBase Reference)
NISTの化学物質情報: Glycine, N-acetyl-(543-24-8)
EPAの化学物質情報: Glycine, N-acetyl- (543-24-8)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Glycine, N-acetyl-

Glycine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29241900
risk_code: 36/37/38
化審法: (2)-1204
hazard_code: Xi
safety_code: 22-24/25-36-26
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Tissue LocationsPlacenta

Cellular LocationsCytoplasm

用途と製造

General Manufacturing InformationGlycine, N-acetyl-: ACTIVE

応用分野

用途有機合成原料。

調製方法

純化方法N-Acetylglycine is treated with acid-washed charcoal and recrystallised three times from water or EtOH/Et2O and is dried in vacuo over KOH [King & King J Am Chem Soc 78 1089 1956]. [Beilstein 4 IV 2399.]

上流・下流製品情報

下流製品

1H-イミダゾール-4-カルボン酸エチル L-フェニルアラニン 3-アセトアミドクマリン 4,4'-(トリアゼン-1,3-ジイル)ビス(ベンゼンカルボイミドアミド)·2(N-アセチルグリシン)N-アセチルグリシンエチル N-アセチルグリシンメチルアセトアミド (Z)-4-(4-Chlorobenzylidene)-2-methyloxazol-5(4H)-one (Z)-4-(2,4-Dimethoxybenzylidene)-2-methyloxazol-5(4H)-one (4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one (Z)-2-メチル-4-(4-メチルベンジリデン)オキサゾール-5(4H)-オン 5(4H)-Oxazolone,4-[(dimethylamino)methylene]-2-methyl-(9CI)

サプライヤー50 社

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湖北瑞泰医药科技有限公司15335880183

補足説明

定義ChEBI: An N-acylglycine where the acyl group is specified as acetyl.

N-アセチルグリシン

基本情報

概要