CAS 2491-18-1 L-Methionine, methyl ester, hydrochloride (HCID 11435579)

基本情報

CAS: 2491-18-1
標準SMILES: COC(=O)[C@@H](N)CCSC.Cl
InChIKey: MEVUPUNLVKELNV-JEDNCBNOSA-N
分子式: C6H14ClNO2S
平均分子量: 199.7 g/mol
単同位体質量: 199.04337737

名称と識別子

優先名称: L-Methionine, methyl ester, hydrochloride
IUPAC: methyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride
現地名: L-メチオニンメチル塩酸塩
英語名: L-Methionine methyl ester hydrochloride
分子式: C6H14ClNO2S
分子量: 199.7

名称と別名

2491-18-1methyl L-methioninate hydrochloride8QXD8QV7KSL-Methionine, methyl ester, hydrochlorideRefChem:1088225L-Methionine methyl ester hydrochlorideH-Met-OMe.HClMFCD00012491Methionine Methyl Ester HydrochlorideMet-OMe.HClL-Met-OMe.HClL-METHIONINE METHYL ESTER HCl

名称をさらに表示

L-メチオニンメチル塩酸塩L-メチオニンメチルエステル塩酸塩L‐メチオニンメチルエステル塩酸塩H-MET-OME · HCLH-Met-OMeClH-MET-OME HCLH-MET-OME·HCLL-Met-Ome·HClH-L-Met-OMe*HClH-Met-OMea€￠ HClMETHIONINE-OME HCL

(s)-methyl 2-amino-4-(methylthio)butanoate hydrochloridemethyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloridemethyl (2S)-2-amino-4-(methylsulfanyl)butanoate hydrochlorideC6H14ClNO2SH-Met-OMe hydrochlorideD-Methionine methyl ester hcl(S)-2-Amino-4-methylsulfanylbutanoic Acid Methyl Ester Hydrochloride; (S)-Methionine Methyl Ester Hydrochloride; Methionine Methyl Ester Hydrochloride; Methyl (S)-Methioninate Hydrochloride; Methyl L-Methioninate Hydrochloride; NSC 522231[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]azanium;chloride

データベース識別子

CAS: 2491-18-1
PubChem CID: 11435579
DTXSID: DTXSID001366427
ChEMBL: CHEMBL118183
UNII: 8QXD8QV7KS
EC Number: 219-651-9

物性

構造計算による物性

極性表面積: 77.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 11
形式電荷: 0
複雑度: 108

物理化学的性質

融点: 151 · 151-153 °C(lit.)
比旋光度: 26 · 26 º (c=5, H2O 24 ºC)
屈折率: 26 ° · 26 ° (C=1, H2O)
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外見: 粉
色: 白からベージュ
水溶解度: 水に溶ける。
BRN: 3913214 · 3913214
主な用途: ペプチド合成
InChI: InChI=1/C6H13NO2S.ClH/c1-9-6(8)5(7)3-4-10-2;/h5H,3-4,7H2,1-2H3;1H/t5-;/s3
InChIKey: MEVUPUNLVKELNV-USHJBNIQNA-N
SMILES: [C@H](N)(CCSC)C(=O)OC.Cl |&1:0,r|
CAS データベース: 2491 · 2491-18-1(CAS DataBase Reference)

化学的性質

化学的特性Crystalline

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationL-Methionine, methyl ester, hydrochloride: 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.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-26
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用L-Methionine methyl ester hydrochloride is used as a starting material for the synthesis of a protected glycine derivative, a versatile asymmetric building block.