(2-(Methylthio)ethyl)amine (HCID 87697)

名称と識別子

優先名称: (2-(Methylthio)ethyl)amine
IUPAC: 2-methylsulfanylethanamine
現地名: 2-(メチルチオ)エタンアミン
英語名: 2-(Methylthio)ethylamine
分子式: C3H9NS
分子量: 91.18

名称と別名

2-(Methylthio)ethylamine[2-(methylthio)ethyl]amine(2-(Methylthio)ethyl)amineDTXSID50171774EINECS 242-412-5RefChem:395139DTXCID2094265242-412-518542-42-22-(Methylthio)ethanamine2-methylsulfanylethanamine2-(methylsulfanyl)ethan-1-amine

名称をさらに表示

2-(メチルスルファニル)エチルアミン2-(メチルチオ)エタンアミンメチル2-アミノエチルスルフィド1-アミノ-2-(メチルチオ)エタンS-メチルシステアミン2-(メチルチオ)エチルアミン2-(メチルチオ)エチルアミン, 95%2-(メチルスルファニル)エタン-1-アミン5-methylcysteamine1-Aza-4-thiapentaneRARECHEM AL BW 0219Methylthio)ethylaMin1-AMINO-3-THIABUTANE2-AminoethylmethylsulphideEthanamine,2-(methylthio)-

Ethanamine, 2-(methylthio)-MFCD000148252-Aminoethyl methyl sulfide2-(Methylsulfanyl)ethanamineS-Methylcysteamine2-methylsulfanyl-ethylamine2-(methylthio)-ethylamineUNII-A9H8PF5P28

データベース識別子

CAS: 18542-42-2
PubChem CID: 87697
DTXSID: DTXSID50171774
UNII: A9H8PF5P28
EC Number: 242-412-5
Nikkaji: J146.560K

物性

構造計算による物性

XLogP: -0.1
極性表面積: 51.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 5
形式電荷: 0
複雑度: 16

物理化学的性質

沸点: 146 · 146-149 °C(lit.)
比重(密度): 0.98 g/mL · 0.98 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.495(lit.)
闪点: 119 °F · 119 °F
貯蔵温度: Flammables area
外見: 結晶性粉末
酸解離定数(Pka): 1 · pK1:9.18(+1) (30°C)
比重: 0.974 · 0.974
色: オフホワイトからライトブラウン
水溶解度: 水に溶ける。
BRN: 1731099 · 1731099
InChI: 1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3
InChIKey: CYWGSFFHHMQKET-UHFFFAOYSA-N
SMILES: CSCCN
CAS データベース: 18542 · 18542-42-2(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.