CAS 432047-36-4 1-(1,3-Thiazol-2-yl)ethan-1-amine (HCID 19896985)

基本情報

CAS: 432047-36-4
標準SMILES: CC(N)c1nccs1
InChIKey: DUOLTCNKKZZNIC-UHFFFAOYSA-N
分子式: C5H8N2S
平均分子量: 128.2 g/mol
単同位体質量: 128.04081926

名称と識別子

優先名称: 1-(1,3-Thiazol-2-yl)ethan-1-amine
IUPAC: 1-(1,3-thiazol-2-yl)ethanamine
英語名: 1-(1,3-thiazol-2-yl)ethanamine(SALTDATA: 2HCl)
分子式: C5H8N2S
分子量: 128.2

名称と別名

1-(1,3-thiazol-2-yl)ethan-1-amineDTXSID30918866RefChem:1053709DTXCID301347808692-965-592932-33-7432047-36-41-(Thiazol-2-yl)ethanamine1-(1,3-thiazol-2-yl)ethanamine1-(2-THIAZOLYL)ETHYLAMINE1-Thiazol-2-yl-ethylamine1-Thiazol-2-ylethanamine

名称をさらに表示

1-(1,3-thiazol-2-yl)ethanamin2-ThiazoleMethanaMine, α-Methyl-2-ThiazoleMethanaMine, a-Methyl-1-(thiazol-2-yl)ethanaMine hydrochloride1-(1,3-thiazol-2-yl)ethanamine(SALTDATA: 2HCl)[1-(1,3-Thiazol-2-yl)ethyl]amine dihydrochloride

1-(thiazol-2-yl)ethan-1-amineMFCD02854206AKOS005175092(alphaR)-alpha-Methyl-2-thiazolemethanamine1-(1,3-THIAZOL-2-YL)ETHANAMINE DIHYDROCHLORIDE1-(thiazol-2-yl)ethylamine(1R)-1-(1,3-thiazol-2-yl)ethan-1-amineSCHEMBL267683

データベース識別子

CAS: 432047-36-4、92932-33-7
PubChem CID: 19896985
DTXSID: DTXSID30918866
EC Number: 692-965-5

物性

構造計算による物性

XLogP: 0.2
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: 1
重原子数: 8
形式電荷: 0
複雑度: 76.8

物理化学的性質

沸点: 185 ℃ · 185℃
比重(密度): 1.172 · 1.172
闪点: 66 ℃ · 66℃
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 7.3 · 7.30±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.