Ethyl 3-ethoxy-3-iminopropionate hydrochloride

HCID 75345CAS 2318-25-4

基本情報

標準SMILES: CCOC(=N)CC(=O)OCC.Cl
InChIKey: HYMXUYQKXCHWDC-UHFFFAOYSA-N
分子式: C7H14ClNO3
平均分子量: 195.64 g/mol
単同位体質量: 195.06622099

名称と識別子

優先名称: Ethyl 3-ethoxy-3-iminopropionate hydrochloride
IUPAC: ethyl 3-ethoxy-3-iminopropanoate;hydrochloride

名称と別名

2318-25-4ethyl 3-ethoxy-3-iminopropanoate hydrochlorideEthyl 3-ethoxy-3-iminopropionate hydrochlorideEthyl carbethoxyacetimidate hydrochlorideDTXSID9046994Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochlorideEthyl beta-ethoxy-beta-iminopropionate hydrochlorideA8DE3DHG8UDTXCID7026994Acetic acid, (1-ethoxyformimidoyl)-, ethyl ester, hydrochlorideNSC-104122Ethyl .beta.-ethoxy-.beta.-iminopropionate hydrochloride

名称をさらに表示

3-ethoxy-3-iminopropanoic acid ethyl ester hydrochlorideRefChem:138691ETHYL (ETHOXYCARBONYL)ACETIMIDATE HYDROCHLORIDEETHYL 2-(ETHOXYCARBONYL)ACETIMIDATE HYDROCHLORIDE3-ETHOXY-3-OXO-1-ETHOXYPROPAN-1-IMINE HYDROCHLORIDE2-(ETHOXYCARBONYL)ACETIMIDIC ACID ETHYL ESTER HYDROCHLORIDEBETA-ETHOXY-BETA-IMINOPROPIONIC ACID ETHYL ESTER HYDROCHLORIDE.BETA.-ETHOXY-.BETA.-IMINOPROPIONIC ACID ETHYL ESTER HYDROCHLORIDE

データベース識別子

CAS: 2318-25-4
PubChem CID: 75345
DTXSID: DTXSID9046994
ChEMBL: CHEMBL3188329
EC Number: 219-028-1

物性

構造計算による物性

極性表面積: 59.4 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: 6
重原子数: 12
形式電荷: 0
複雑度: 145

実験および物理化学的性質

Physical DescriptionWet Solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 43.5% (37 of 85) of reports.

Warning

H315 (55.3%): 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 85 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25835

Hazard Classes and CategoriesSkin Irrit. 2 (55.3%)