CAS 144163-68-8 Methyl((1,3-thiazol-2-yl)methyl)amine (HCID 18939834)

基本情報

CAS: 144163-68-8
標準SMILES: CNCc1nccs1
InChIKey: MNHGOWYUJYMPGV-UHFFFAOYSA-N
分子式: C5H8N2S
平均分子量: 128.2 g/mol
単同位体質量: 128.04081944

名称と識別子

優先名称: Methyl((1,3-thiazol-2-yl)methyl)amine
IUPAC: N-methyl-1-(1,3-thiazol-2-yl)methanamine
現地名: N-メチル-1-(1,3-チアゾール-2-イル)メタンアミンDIHYDROCHLORIDE
英語名: N-Methylthiazole-2-methanamine
分子式: C5H8N2S
分子量: 128.2

名称と別名

methyl[(1,3-thiazol-2-yl)methyl]amineMethyl((1,3-thiazol-2-yl)methyl)amineRefChem:818169819-108-1144163-68-8N-Methyl-1-(thiazol-2-yl)methanamineN-Methylthiazole-2-methanamine2-METHYLAMINOMETHYLTHIAZOLEMETHYL-THIAZOL-2-YLMETHYL-AMINEN-methyl-1-(1,3-thiazol-2-yl)methanamine2-Thiazolemethanamine, N-methyl-MFCD02854205

名称をさらに表示

N-メチル-1-(1,3-チアゾール-2-イル)メタンアミンDIHYDROCHLORIDEN-メチル-1-(1,3-チアゾール-2-イル)メタンアミン DIHYDROCHLORIDEN-メチル-1-(1,3-チアゾール-2-イル)メタンアミンVT00065N-Methyl-2-thiazolylmethylamineN-methyl-1-(2-thiazolyl)methanamine

methyl(1,3-thiazol-2-ylmethyl)amine dihydrochloridemethylthiazol-2-ylmethylamineN-methyl-1-thiazol-2-yl-methanamineN-Methyl-[(1,3-thiazol-2-yl)methyl]amineSCHEMBL178402SCHEMBL1680301SCHEMBL4574553DTXSID50596680

データベース識別子

CAS: 144163-68-8
PubChem CID: 18939834
DTXSID: DTXSID50596680
EC Number: 819-108-1
Nikkaji: J3.402.945H

物性

構造計算による物性

XLogP: 0.4
極性表面積: 53.2 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: 8
形式電荷: 0
複雑度: 67

物理化学的性質

沸点: 181.4 · 181.4±23.0 °C(Predicted)
比重(密度): 1.126 · 1.126±0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.44 · 7.44±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.