2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC ACIDMETHYL ESTER

Methyl 2-amino-5-phenylthiophene-3-carboxylate

HCID 705256CAS 61325-02-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)c1cc(-c2ccccc2)sc1N
InChIKey: QKYRXLPXSJZIQM-UHFFFAOYSA-N
分子式: C12H11NO2S
平均分子量: 233.29 g/mol
単同位体質量: 233.05104959

名称と識別子

優先名称: Methyl 2-amino-5-phenylthiophene-3-carboxylate
IUPAC: methyl 2-amino-5-phenylthiophene-3-carboxylate
現地名: 2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC ACIDMETHYL ESTER
英語名: METHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATE
分子式: C12H11NO2S
分子量: 233.29

名称と別名

methyl 2-amino-5-phenylthiophene-3-carboxylate61325-02-8DTXSID80351623RefChem:354069DTXCID70302689MFCD020909362-Amino-5-phenyl-thiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-thiophene-3-carboxylate2-Amino-5-phenylthiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-3-thiophenecarboxylateMethyl2-Amino-5-Phenylthiophene-3-CarboxylateOprea1_082612

名称をさらに表示

2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC ACIDMETHYL ESTER2-アミノ-5-フェニルチオフェン-3-カルボン酸メチルMETHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATMethyl 2-amino-5-phenylthiophene-3-carboxylate ,99%2-amino-5-phenyl-3-thiophenecarboxylic acid methyl ester3-Thiophenecarboxylic acid, 2-aMino-5-phenyl-, Methyl estermethyl 2-amino-5-phenylthiophene-3-carboxylate(SALTDATA: FREE)

MLS000528771SCHEMBL1563613CHEMBL1389689QKYRXLPXSJZIQM-UHFFFAOYSA-NHMS1691F18HMS2345P24ALBB-001959BBL016138

データベース識別子

CAS: 61325-02-8
PubChem CID: 705256
DTXSID: DTXSID80351623
ChEMBL: CHEMBL1389689
EC Number: 672-044-4
Nikkaji: J784.974E

物性

構造計算による物性

XLogP: 3.3
極性表面積: 80.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 253

物理化学的性質

融点: 195 ° · 195°
貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.