CAS 2208-07-3 Ethanimidic acid, ethyl ester, hydrochloride (1:1) (HCID 2724290)

名称と識別子

優先名称: Ethanimidic acid, ethyl ester, hydrochloride (1:1)
IUPAC: ethyl ethanimidate;hydrochloride
現地名: エタンイミド酸エチル·塩酸塩
英語名: Ethyl acetimidate hydrochloride
分子式: C4H10ClNO
分子量: 123.58

名称と別名

Ethyl acetimidate hydrochloride2208-07-3Ethanimidic acid, ethyl ester, hydrochlorideNSC-97328G2EP4UC7TVNSC-139094DTXSID90883809Ethanimidic acid, ethyl ester, hydrochloride (1:1)RefChem:138195DTXCID801023295218-631-7MFCD00012572

名称をさらに表示

1-エトキシエタンイミン·塩酸塩1-エトキシ-1-イミノエタン·塩酸塩エタンイミド酸エチル·塩酸塩1-エトキシ-1-エタンイミン·塩酸塩アセトイミド酸エチル·塩酸塩アセトイミド酸エチル塩酸塩アセトイミド酸エチル塩酸塩1-エトキシ-1-エタンイミン・塩酸塩1-エトキシエタンイミン・塩酸塩エタンイミド酸エチル・塩酸塩アセトイミド酸エチル・塩酸塩1-エトキシ-1-イミノエタン・塩酸塩Ethanimidic acid, ethyl esterEAHethyl ethanimidateEthyl ethanimidoateethyl ethanecarboximidate hydrochlorideEhtyl acetimidate1-EthoxyethanimineEthyliminoacetateHClacetimidate hydrochL

ethyl ethanimidate;hydrochlorideEA hydrochlorideEthyl Acetimidate Hydrochloride (>90%)Acetimidic acid, hydrochlorideEthanimidic acid, hydrochlorideAcetimidoethyl ether hydrochlorideethyl ethanimidate hydrochlorideethyl ethanimidoate hydrochloride

データベース識別子

CAS: 2208-07-3
PubChem CID: 2724290
DTXSID: DTXSID90883809
UNII: G2EP4UC7TV
EC Number: 218-631-7

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: 2
重原子数: 7
形式電荷: 0
複雑度: 51.5

物理化学的性質

融点: 112 · 112-114 °C(lit.)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 50 mg/mL · 水：可溶50mg/mL 無色透明
外見: 結晶性粉末
色: 白い
水溶解度: 水に溶けます (50mg/L)。
BRN: 3552401 · 3552401
安定性: 吸湿性、湿気に敏感
InChI: InChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H
InChIKey: WGMHMVLZFAJNOT-UHFFFAOYSA-N
SMILES: O(CC)C(=N)C.Cl
CAS データベース: 2208 · 2208-07-3(CAS DataBase Reference)
EPAの化学物質情報: Ethanimidic acid, ethyl ester, hydrochloride (2208-07-3)

化学的性質

化学的特性white to light yellow crystal 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 47 reports by companies from 4 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: 3-10-21
wgk: 3
tsca: TSCA listed
hs_code: 29252900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

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, ethyl ester, hydrochloride (1:1): INACTIVE

応用分野 · 1 件

使用Ethyl acetimidate hydrochloride was used in preparation of amidinated carbonic anhydrase via chemical modification of human erythrocyte carbonic anhydrase. It was also used in synthesis of methyl 2-methyl-2-thiazoline-4-carboxylate hydrochloride.

調製方法 · 1 件

純化方法Recrystallise the hydrochloride by dissolving it in the minimum volume of super dry EtOH and adding dry Et2O or from dry Et2O. Dry it in a vacuum and store it in a vacuum desiccator with P2O5. Alternatively it could be crystallised from EtOH (containing a couple of drops of ethanolic HCl) and adding dry Et2O. Filter and dry it in a vacuum desiccator over H2SO4 and NaOH. [Pinner Chem Ber 16 1654 1883, Glickman & Cope J Am Chem Soc 67 1020 1945, Chaplin & Hunter J Chem Soc 1118 1937, McElvain & Schroeder J Am Chem Soc 71 40 1949, McElvain & Tate J Am Chem Soc 73 2233 1951, Methods Enzymol 25 585 1972, Beilstein 2 III 418.]