CAS 60845-81-0 Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate (HCID 6401018)

部分構造検索類似構造を探す

基本情報

CAS: 60845-81-0
標準SMILES: CCOC(=O)/C(=N\O)c1csc(N)n1
InChIKey: BTEPYCPXBCCSDL-YHYXMXQVSA-N
分子式: C7H9N3O3S
平均分子量: 215.23 g/mol
単同位体質量: 215.03646215

概要

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名称と識別子

優先名称: Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate
IUPAC: ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate

名称と別名

64485-82-160845-81-0Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate(Z)-Ethyl 2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetateMFCD000715312-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetateethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetateEthyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetateEHATAethyl (Z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetateAztreonam Impurity 22ETHYL (Z)-2-HYDROXYIMINO-2-(2-AMINOTHIAZOLE-4-YL)ACETATE

名称をさらに表示

EINECS 262-468-4EINECS 264-910-1SCHEMBL95685ethyl 2-(2-amino(1,3-thiazol-4-yl))-2-(hydroxyimino)acetateMLS006011392Ethyl (Z)-2-amino-alpha-(hydroxyimino)thiazol-4-acetateDTXSID801215981ethyl (2Z)-2-(2-aminothiazol-4-yl)-2-hydroxyimino-acetate

データベース識別子

CAS: 60845-81-0、64485-82-1
PubChem CID: 6401018
DTXSID: DTXSID801215981
EC Number: 262-468-4、264-910-1
Nikkaji: J133.153A

物性

構造計算による物性

XLogP: 1.8
極性表面積: 126 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 246

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]