CAS 17288-15-2 Ethyl 2-amino-2-methylpropanoate hydrochloride (HCID 22343822)

基本情報

CAS: 17288-15-2
標準SMILES: CCOC(=O)C(C)(C)N.Cl
InChIKey: YREPHXXOTHNLEV-UHFFFAOYSA-N
分子式: C6H14ClNO2
平均分子量: 167.63 g/mol
単同位体質量: 167.07130637

名称と識別子

優先名称: Ethyl 2-amino-2-methylpropanoate hydrochloride
IUPAC: ethyl 2-amino-2-methylpropanoate;hydrochloride
現地名: 2-アミノ-2-メチル-1-プロピオン酸エチル塩酸塩
英語名: 2-Amino-2-methyl-propionic acid ethyl ester hydrochloride
分子式: C6H14ClNO2
分子量: 167.63

名称と別名

Ethyl 2-amino-2-methylpropanoate hydrochlorideRefChem:594099605-648-317288-15-2H-Aib-OEt.HCl2-Aminoisobutyric acid ethyl ester hydrochlorideMFCD06809830Ethyl 2-Amino-2-methyl-1-propionate Hydrochloride1-ethoxycarbonyl-1-methylethylamine hydrochlorideEthyl 2-amino-2-methylpropanoate HClH-Aib-oet hclethyl 2-methylalaninate hydrochloride

名称をさらに表示

2-アミノ-2-メチル-1-プロピオン酸エチル塩酸塩2-アミノ-2-メチルプロパン酸エチル塩酸塩H-Aib-OEtAib-Oet.HCLL-Aib-OEt·HClIFLAB-BB F2108-0015propanoate hydrochLH-a-Me-Ala-OEt · HClH-α-Me-Ala-OEt · HClH-ALPHA-ME-ALA-OET HCL

ethyl 2-amino-2-methylpropanoate;hydrochlorideH-Aib-Oet hydrochlorideethyl aminoisobutyrate hydrochlorideETHYL ALPHA-AMINOISOBUTYRATE HYDROCHLORIDERE87Y8Q3K3SCHEMBL12789192-amino-2-methyl-propionic acid ethyl ester hydrochlorideDTXSID60625031

データベース識別子

CAS: 17288-15-2
PubChem CID: 22343822
DTXSID: DTXSID60625031
UNII: RE87Y8Q3K3
EC Number: 605-648-3

物性

構造計算による物性

極性表面積: 52.3 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: 3
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 156 · 156-157 °C
貯蔵温度: 2 · Inert atmosphere,2-8°C
InChI: InChI=1S/C6H13NO2.ClH/c1-4-9-5(8)6(2,3)7;/h4,7H2,1-3H3;1H
InChIKey: YREPHXXOTHNLEV-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(C)(C)N.Cl
CAS データベース: 17288 · 17288-15-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.