2-(디메틸아미노)에타네티올

Captamine

HCID 25799CAS 108-02-1

기본 정보

표준 SMILES: CN(C)CCS
InChIKey: DENMGZODXQRYAR-UHFFFAOYSA-N
분자식: C4H11NS
평균 분자량: 105.2 g/mol
단동위원소 질량: 105.06122035

개요

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.

이름 및 식별자

우선 이름: Captamine
IUPAC: 2-(dimethylamino)ethanethiol
현지명: 2-(디메틸아미노)에타네티올
영어명: 2-(Dimethylamino)ethanethiol
분자식: C4H11NS
분자량: 105.2

이름 및 동의어

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

이름 더 보기

2-(디메틸아미노)에타네티올2-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 4.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 28.7

실험 및 물리화학적 성질

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.

물리화학적 성질

끓는 점: 120 · 120-140 °C
밀도: 0.8943 g/cm3 · 0.8943 g/cm3(Temp: 25 °C)
산도 계수 (pKa): 8.4 · 8.40±0.10(Predicted)
EPA: N,N-(2-Dimethylamino)ethanethiol (108-02-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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) · 4건

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.

규제 정보

DHS Chemicals of Interest (COI) · 4건

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.