Captamine Hydrochloride

HCID 25798CAS 13242-44-9

基本情報

標準SMILES: CN(C)CCS.Cl
InChIKey: NRVFDGZJTPCULU-UHFFFAOYSA-N
分子式: C4H11NS.ClH
平均分子量: 141.66 g/mol
単同位体質量: 141.03789806

名称と識別子

優先名称: Captamine Hydrochloride
IUPAC: 2-(dimethylamino)ethanethiol;hydrochloride

名称と別名

13242-44-92-(Dimethylamino)ethanethiol hydrochlorideCaptamine hydrochlorideCaptamine HClN,N-Dimethylcysteamine hydrochlorideNSC-45463Captamine hydrochloride [USAN]N-Dimethylcysteamine hydrochloride(2-Mercaptoethyl)dimethylammonium chlorideETHANETHIOL, 2-(DIMETHYLAMINO)-, HYDROCHLORIDEN-(2-Mercaptoethyl)dimethylamine hydrochloride(Dimethylamino)ethanethiol hydrochloride

名称をさらに表示

DTXSID7046596EINECS 236-221-61-(Dimethylamino)-2-thioethane hydrochlorideN,N-Dimethyl-2-aminoethanethiol hydrochlorideNSC 45463UNII-M43AX41U872-Dimethylamino ethanethiol hydrochlorideM43AX41U87

データベース識別子

CAS: 13242-44-9
PubChem CID: 25798
DTXSID: DTXSID7046596
ChEMBL: CHEMBL2107613
UNII: M43AX41U87
EC Number: 236-221-6

物性

構造計算による物性

極性表面積: 4.2 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 28.7

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Ethanethiol, 2-(dimethylamino)-, hydrochloride

Ethanethiol, 2-(dimethylamino)-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)