CAS 100202-39-9 Methyl azetidine-3-carboxylate hydrochloride (HCID 21100040)

基本情報

CAS: 100202-39-9
標準SMILES: COC(=O)C1CNC1.Cl
InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N
分子式: C5H10ClNO2
平均分子量: 151.59 g/mol
単同位体質量: 151.04000624

名称と識別子

優先名称: Methyl azetidine-3-carboxylate hydrochloride
IUPAC: methyl azetidine-3-carboxylate;hydrochloride
現地名: アゼチジン-3-カルボン酸メチル塩酸塩
英語名: 3-AZETIDINECARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDE
分子式: C5H10ClNO2
分子量: 151.59

名称と別名

Methyl azetidine-3-carboxylate hydrochlorideRefChem:817633815-099-3100202-39-9Azetidine-3-carboxylic acid methyl ester hydrochloride3-AZETIDINECARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDEMFCD01861758methyl azetidine-3-carboxylate HClmethyl azetidine-3-carboxylate;hydrochloride3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1)Methyl azetidine-3-carboxylate (hydrochloride)METHYL 3-AZETIDINECARBOXYLATE HYDROCHLORIDE

名称をさらに表示

アゼチジン-3-カルボン酸メチル塩酸塩3-アゼチジンカルボン酸メチル塩酸塩Azetidine-3-carboxylic methyl ester hrdrochloride3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1) CAS_EXAMPLEMethyl azetidine-3-carbox...Methyl 3-Azetidine carboxylate HClAZETIDINE-3-CARBOXYLIC METHYL ESTER HCL3-AZETIDINECARBOXYLIC ACID, MEHYDROCHLORIDE3-Azetidinecarboxylic acid methyl ester HClAZETIDINE-3-CARBOXYLIC ACID METHYL ESTER HCL

AKOS015845781PB17252Methylazetidine-3-carboxylate hydrochloridehydrogen chloride methyl 3-azetidinecarboxylateazetidine-3-carboxylate methyl ester hydrochlorideazetidine-3-carboxylic methyl ester hydrochlorideAzetidine-3-Methyl carboxylate HydrochlorideBCP34274

データベース識別子

CAS: 100202-39-9
PubChem CID: 21100040
DTXSID: DTXSID70610756
UNII: ZP3S394KYH
EC Number: 815-099-3

物性

構造計算による物性

極性表面積: 38.3 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: 93 to · 93.0 to 97.0 °C
沸点: 187 · 187-192℃
闪点: 69 ° · 69°(156°F)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
水溶解度: Soluble in water
外見: powder to crystal
色: White to Almost white
InChI: InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N
SMILES: C(C1CNC1)(=O)OC.Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 CategoriesAcute Tox. 4 (20%)

安全データ

wgk: WGK 3
hs_code: 2933998090
risk_code: 36
safety_code: 26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Methyl Azetidine-3-carboxylate Hydrochloride can be used to prepare inhibitors of of human glycogen phosphorylase to treat hyperglycemia, hyperinsulinemia, hyperlipidemia, insulin resistance or tissue ischemia.