N-メチル-2-(メチルスルホニル)エタンアミン

(2-Methanesulfonylethyl)(methyl)amine

HCID 3856040

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 202198-18-3
標準SMILES: CNCCS(C)(=O)=O
InChIKey: GCPNZCTVVWEQKX-UHFFFAOYSA-N
分子式: C4H11NO2S
平均分子量: 137.2 g/mol
単同位体質量: 137.05104959

名称と識別子

優先名称: (2-Methanesulfonylethyl)(methyl)amine
IUPAC: N-methyl-2-methylsulfonylethanamine
現地名: N-メチル-2-(メチルスルホニル)エタンアミン
英語名: N-Methyl-2-(methylsulfonyl)ethylamine
分子式: C4H11NO2S
分子量: 137.2

名称と別名

(2-methanesulfonylethyl)(methyl)amineRefChem:395950691-625-3202198-18-3N-Methyl-2-(methylsulfonyl)ethanamine2-(Methylamino)-1-(methylsulfonyl)ethaneN-methyl-2-methylsulfonylethanamineN-Methyl-2-(methylsulfonyl)ethylamineEthanamine, N-methyl-2-(methylsulfonyl)-MFCD020894032-(Methylamino)-1-(methylsulphonyl)ethaneSCHEMBL553402

名称をさらに表示

N-メチル-2-(メチルスルホニル)エタンアミン(2-Methylsulfonylethyl)methylamineN-Methyl-2-(methylsulphonyl)ethylamineN-Methyl-2-(methanesulfonyl)ethylamineN-Methyl-2-(methylsulfonyl)ethan-1-amine1-(Methylamino)-2-(methylsulphonyl)ethane, Methyl 2-(methylamino)ethyl sulphone

SCHEMBL1097962SCHEMBL5117559DTXSID00397402GCPNZCTVVWEQKX-UHFFFAOYSA-NAR3755AKOS009118576(2-methanesulfonyl-ethyl)-methyl-amineN-methyl-2-(methylsulfonyl)ethaneamine

データベース識別子

CAS: 202198-18-3
PubChem CID: 3856040
DTXSID: DTXSID00397402
EC Number: 691-625-3

物性

構造計算による物性

XLogP: -0.8
極性表面積: 54.6 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: 3
重原子数: 8
形式電荷: 0
複雑度: 133

物理化学的性質

沸点: 288 ℃ · 288℃
比重(密度): 1.102 · 1.102
闪点: 128 ℃ · 128℃
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 8.39 · 8.39±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.