CAS 108481-92-1 4-(4-Isopropyl-phenyl)-thiazol-2-ylamine (HCID 673693)

基本情報

CAS: 108481-92-1
標準SMILES: CC(C)c1ccc(-c2csc(N)n2)cc1
InChIKey: UFBAQAAATDLTAZ-UHFFFAOYSA-N
分子式: C12H14N2S
平均分子量: 218.32 g/mol
単同位体質量: 218.08776945

名称と識別子

優先名称: 4-(4-Isopropyl-phenyl)-thiazol-2-ylamine
IUPAC: 4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
現地名: 4-(4-イソプロピルフェニル)-1,3-チアゾール-2-アミン
英語名: 2-Amino-4-(4-isopropylphenyl)- thiazole
分子式: C12H14N2S
分子量: 218.32

名称と別名

108481-92-14-(4-Isopropyl-phenyl)-thiazol-2-ylamineDTXSID30350101RefChem:288067DTXCID103011712-amino-4-(4-isopropylphenyl)thiazole4-(4-isopropylphenyl)-1,3-thiazol-2-amine4-(4-isopropylphenyl)thiazol-2-amine4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine4-[4-(propan-2-yl)phenyl]-1,3-thiazol-2-amineMFCD009894654-(4-Isopropylphenyl)thiazol-2-ylamine

名称をさらに表示

4-(4-イソプロピルフェニル)-1,3-チアゾール-2-アミン4-(4-isopropylphenyl)-2-thiazolamine4-(4-propan-2-ylphenyl)-2-thiazolamine4-[4-(1-METHYLETHYL)PHENYL)-2-THIAZOLAMINE4-(4-isopropylphenyl)-1,3-thiazol-2-amine(SALTDATA: FREE)

2-Amino-4-(4-isopropylphenyl)- thiazole2-Thiazolamine,4-[4-(1-methylethyl)phenyl]-2-Thiazolamine, 4-[4-(1-methylethyl)phenyl]-Cambridge id 5751226Oprea1_178190Oprea1_717317SCHEMBL1799856UFBAQAAATDLTAZ-UHFFFAOYSA-N

データベース識別子

CAS: 108481-92-1
PubChem CID: 673693
DTXSID: DTXSID30350101
EC Number: 672-128-0
Nikkaji: J3.536.586I

物性

構造計算による物性

XLogP: 3.4
極性表面積: 67.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 200

物理化学的性質

沸点: 374 · 374.0±21.0 °C(Predicted)
比重(密度): 1.15 · 1.150±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 4.46 · 4.46±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.