CAS 14777-27-6 Ethanimidic acid, methyl ester, hydrochloride (1:1) (HCID 10313100)

名称と識別子

優先名称: Ethanimidic acid, methyl ester, hydrochloride (1:1)
IUPAC: methyl ethanimidate;hydrochloride
現地名: エタンイミド酸メチル·塩酸塩
英語名: Methyl acetimidate hydrochloride
分子式: C3H8ClNO
分子量: 109.55

名称と別名

Methyl acetimidate hydrochloride14777-27-6Methylacetimidate hydrochlorideEthanimidic acid, methyl ester, hydrochlorideEthanimidic acid, methyl ester, hydrochloride (1:1)DTXSID8088476905I74I2UQ2ACETIMIDIC ACID, METHYL ESTER, HYDROCHLORIDERefChem:138196DTXCID301024193238-843-3Methyl acetimidate HCl

名称をさらに表示

アセトイミド酸メチル·塩酸塩アセトイミド酸メチル=塩酸塩エタンイミド酸メチル·塩酸塩1-メトキシ-1-エタンイミン·塩酸塩メチルアセトイミダート塩酸塩メチルアセトイミダート塩酸塩AcetimidicacidmethylesterHClMETHYL ACETIMIDATE HYDROCHLORIDE, TECH.acetimidicacid,methylester,hydrochlorideethanimidicacid,methylester,hydrochlorideMethyl acetiMidate hydrochloride , TechnicalMethyl acetimidate hydrochloride technical gradeMethyl acetimidate hydrochlorideTechnical, ≥ 99% (Assay by Titration)

Methyl acetimidate, HClmethyl ethanimidate;hydrochlorideMFCD00012571Acetimidic Acid Methyl Ester HydrochlorideSCHEMBL2266274O-methyl acetimidate hydrochloride1-methoxyethylideneammonium;chlorideAKOS015902715

データベース識別子

CAS: 14777-27-6
PubChem CID: 10313100
DTXSID: DTXSID80884769
UNII: 05I74I2UQ2
EC Number: 238-843-3

物性

構造計算による物性

極性表面積: 33.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 42.2

物理化学的性質

融点: 105 °C · 105 °C (dec.)(lit.)
貯蔵温度: 2 · 2-8°C
BRN: 3671581 · 3671581
InChI: 1S/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H
InChIKey: WHYJXXISOUGFLJ-UHFFFAOYSA-N
SMILES: Cl.COC(C)=N
EPAの化学物質情報: Ethanimidic acid, methyl ester, hydrochloride (14777-27-6)

化学的性質

化学的特性White to yellow powder

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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
rtecs: AK2950000
ridadr: UN 2811 6.1/PG 3
hs_code: 2929900090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

General Manufacturing InformationEthanimidic acid, methyl ester, hydrochloride (1:1): INACTIVE

応用分野

使用Methyl acetimidate hydrochloride has been used in pre-crystallization chemical modification of lysine residues.

一般的な説明Methyl acetimidate hydrochloride is an inhibitor of N-methylation of phosphatidylethanolamine. It also prevents the stimulation of purified cardiac sarcolemmal vesicles Ca2+-pump activities.

調製方法 · 1 件

純化方法Crystallise the imidate from methanol by adding dry ether to a ratio of 1:1 and cooling at 0o. Filter off the crystals in a cold room, wash them with methanol/ether (1:2), then dry in a vacuum. [Hunter & Ludwig J Am Chem Soc 84 3491 1962.] The free base has b 90-91o/765mm, d 0.867, n 1.403. [Hunter & Ludwig Methods Enzymol 25 585 1973, Beilstein 2 IV 181.]