CAS 15028-41-8 Methyl 2-aminoisobutyrate hydrochloride (HCID 13258034)

基本情報

CAS: 15028-41-8
標準SMILES: COC(=O)C(C)(C)N.Cl
InChIKey: NVWZNEDLYYLQJC-UHFFFAOYSA-N
分子式: C5H12ClNO2
平均分子量: 153.61 g/mol
単同位体質量: 153.0556563

名称と識別子

優先名称: Methyl 2-aminoisobutyrate hydrochloride
IUPAC: methyl 2-amino-2-methylpropanoate;hydrochloride
現地名: Α‐アミノイソ酪酸メチル塩酸塩
英語名: alpha-Aminoisobutyric acid methyl ester hydrochloride
分子式: C5H12ClNO2
分子量: 153.61

名称と別名

Methyl 2-Aminoisobutyrate hydrochlorideRefChem:81390515028-41-8H-Aib-OMe.HClMethyl 2-amino-2-methylpropanoate hydrochloridealpha-Aminoisobutyric acid methyl ester hydrochloride2-AMINOISOBUTYRIC ACID METHYL ESTER HYDROCHLORIDEMFCD00214247Methyl alpha-aminoisobutyrate hydrochloridemethyl 2-amino-2-methylpropanoate;hydrochloridemethyl 2-methylalaninate hydrochlorideMethyl 2-aminoisobutanoate hydrochloride

名称をさらに表示

Α‐アミノイソ酪酸メチル塩酸塩2-アミノイソ酪酸メチル塩酸塩2-メチルアラニン酸メチル塩酸塩α-アミノイソ酪酸メチル塩酸塩Aib.ome.HCLH-Aib-OMeH-Aib-OMe.HCIalpha-AminoiMethyl αL-Aib-OMe·HClH-AIB-OME HCL2-Aib-Ome.HclH-ALA(ME)-OME HCLH-a-Me-Ala-OMe · HCl

METHYL 2-AMINOISOBUTYRATE HCLMethyl |A-aminoisobutyrate hydrochlorideMethyl 2-aminoisobutyrate (hydrochloride)2,2-dimethylglycine methyl ester hydrochloride2-Aminoisobutanoic Acid Methyl Ester Hydrochloride(1-methoxy-2-methyl-1-oxopropan-2-yl)azanium;chloride2-amino-2-methylpropionic acid methyl ester hydrochlorideO-methyl-2-aminoisobutyric acid hydrochloride

データベース識別子

CAS: 15028-41-8
PubChem CID: 13258034
DTXSID: DTXSID20532515
UNII: S72Z8D9W2S
EC Number: 864-887-3

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: 2
重原子数: 9
形式電荷: 0
複雑度: 98.6

物理化学的性質

融点: 185 °C · 185°C
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
溶解性: DMSO (Sparingly), Methanol (Slightly), Water (Slightly)
外見: 結晶性粉末
色: 白い
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C5H11NO2.ClH/c1-5(2,6)4(7)8-3;/h6H2,1-3H3;1H
InChIKey: NVWZNEDLYYLQJC-UHFFFAOYSA-N
SMILES: C(N)(C)(C)C(=O)OC.Cl
CAS データベース: 15028 · 15028-41-8(CAS DataBase Reference)

化学的性質

化学的特性White solid

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.