スレオニンメチルエステル塩酸塩

Methyl L-threoninate hydrochloride

HCID 2734893

ノート反応

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基本情報

CAS: 39994-75-7
標準SMILES: COC(=O)[C@@H](N)[C@@H](C)O.Cl
InChIKey: OZSJLLVVZFTDEY-HJXLNUONSA-N
分子式: C5H12ClNO3
平均分子量: 169.61 g/mol
単同位体質量: 169.05057092

名称と識別子

優先名称: Methyl L-threoninate hydrochloride
IUPAC: methyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloride
現地名: スレオニンメチルエステル塩酸塩
英語名: Methyl L-threoninate hydrochloride
分子式: C5H12ClNO3
分子量: 169.61

名称と別名

39994-75-7Methyl L-threoninate hydrochlorideL-Threonine, methyl ester, hydrochlorideMethyl L-threoninate HClEINECS 254-738-5DTXSID20193049RefChem:817827DTXCID80115540L-Threonine, methyl ester, hydrochloride (1:1)254-738-5L-Threonine methyl ester hydrochlorideH-Thr-OMe.HCl

名称をさらに表示

スレオニンメチルエステル塩酸塩L‐スレオニンメチルエステル塩酸塩L-トレオニンメチルエステル塩酸塩H-THR-OME塩酸塩L-トレオニンメチル・塩酸塩Ｌ-スレオニンメチルエステル塩酸塩H-THR-OME·HCLL-Threonine Methyl Ester HClThr-ome.HClH-THR-OME HCLH-L-THR-OME HCLL-threonineamideTHREONINE-OME HCLLysine Impurity 7H-Thr-OMe·HCl(oil)

MFCD00037677(2S,3R)-methyl 2-amino-3-hydroxybutanoate hydrochlorideDL-Threonine methyl ester hydrochlorideTHREONINE METHYL ESTER HYDROCHLORIDEmethyl (2S,3R)-2-amino-3-hydroxybutanoate;hydrochloridemethyl (2S,3R)-2-amino-3-hydroxybutanoate hydrochloride[(2S,3R)-3-Hydroxy-1-methoxy-1-oxobutan-2-yl]azanium;chlorideM02985

データベース識別子

CAS: 39994-75-7
PubChem CID: 2734893
DTXSID: DTXSID20193049
ChEMBL: CHEMBL1221904
EC Number: 254-738-5

物性

構造計算による物性

極性表面積: 72.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 104

物理化学的性質

融点: 64 °C · 64 °C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外見: 粉
色: 白い
水溶解度: 水に溶ける。
BRN: 3562717 · 3562717
InChI: 1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3,4-;/m0./s1
InChIKey: OZSJLLVVZFTDEY-LXNQBTANSA-N
SMILES: Cl.COC(=O)[C@@H](N)C(C)O
CAS データベース: 39994 · 39994-75-7(CAS DataBase Reference)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 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 InformationL-Threonine, methyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

F: 3-10-21
wgk: 3
hs_code: 29225000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-37/39-26
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用L-Threonine methyl ester is a protected form of L-Threonine (T405500). L-Threonine is an essential amino acid that is commonly used as a feed and food additive. L-Threonine is produced in mass quantities by mutant Escherichia coli strains for research and food nutrition purposes. L-Threonine can be naturally found in fish and poultry, and is incorporated in some important proteins in the human body (such as hemoglobin and insulin).