2-(ジメチルアミノ)エタンチオール

Captamine

HCID 25799CAS 108-02-1

基本情報

標準SMILES: CN(C)CCS
InChIKey: DENMGZODXQRYAR-UHFFFAOYSA-N
分子式: C4H11NS
平均分子量: 105.2 g/mol
単同位体質量: 105.06122035

概要

This is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.

名称と識別子

優先名称: Captamine
IUPAC: 2-(dimethylamino)ethanethiol
現地名: 2-(ジメチルアミノ)エタンチオール
英語名: 2-(Dimethylamino)ethanethiol
分子式: C4H11NS
分子量: 105.2

名称と別名

Captamine2-(Dimethylamino)ethanethiol108-02-1Ethanethiol, 2-(dimethylamino)-Captamine [INN]CaptaminaN-Dimethyl cysteaminCaptaminum(2-Mercaptoethyl)dimethylamineCaptaminum [INN-Latin]Captamina [INN-Spanish](Dimethylamino)ethyl mercaptan

名称をさらに表示

N,N-ジメチル-2-メルカプトエタンアミンカプタミンN,N-ジメチルシステアミン2-(ジメチルアミノ)エタン-1-チオール2-(ジメチルアミノ)エタンチオール２－ジメチルアミノエタンチオールN,N-ｼﾞﾒﾁﾙｱﾐﾉｴﾀﾝ-2-ﾁｵｰﾙ2-(Dimethylamino)ethane-1-thiolN-Dimethyl cysteaminen,n-dimethylcysteamineDIMETHYLAMINOETHANETHIOL2-(dimethylamino)-ethanethio(dimethylamino)ethylmercaptan

N-Dimethyl cysteamin [German]9FS0ENU0GREINECS 203-543-3NSC-760122BRN 1071198N,N-(2-dimethylamino)ethanethiolp-Butylthiobenzhydryl-2-dimethylaminoethyl-sulfid2-(p-(Butylthio)benzhydrylthio)-N,N-dimethylethylamin

データベース識別子

CAS: 108-02-1、13242-44-9
PubChem CID: 25799
DTXSID: DTXSID9048350
ChEMBL: CHEMBL1395579
UNII: 9FS0ENU0GR
EC Number: 203-543-3
Nikkaji: J22.124D

物性

構造計算による物性

XLogP: 0.6
極性表面積: 4.2 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: 6
形式電荷: 0
複雑度: 28.7

実験および物理化学的性質

Physical DescriptionThis is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.

物理化学的性質

沸点: 120 · 120-140 °C
比重(密度): 0.8943 g/cm3 · 0.8943 g/cm3(Temp: 25 °C)
酸解離定数(Pka): 8.4 · 8.40±0.10(Predicted)
EPAの化学物質情報: N,N-(2-Dimethylamino)ethanethiol (108-02-1)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, 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.

危険有害性情報

Reactive GroupAmines, Phosphines, and Pyridines

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

DHS Chemicals of Interest (COI) · 4 件

N,N-(2-dimethylamino)ethanethiol

30.00

2.2

Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.

法規制情報

DHS Chemicals of Interest (COI) · 4 件

N,N-(2-dimethylamino)ethanethiol

30.00

2.2

Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.