Aminoethyl sulfate

HCID 70223CAS 926-39-6

部分構造検索類似構造を探す

基本情報

標準SMILES: NCCOS(=O)(=O)O
InChIKey: WSYUEVRAMDSJKL-UHFFFAOYSA-N
分子式: C2H7NO4S
平均分子量: 141.15 g/mol
単同位体質量: 141.0095787

概要

2-aminoethyl hydrogen sulfate is an EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor.

名称と識別子

優先名称: Aminoethyl sulfate
IUPAC: 2-aminoethyl hydrogen sulfate

名称と別名

2-Aminoethyl hydrogen sulfate926-39-6Aminoethyl sulfate2-Aminoethyl sulfate2-Aminoethyl hydrogen sulphateMono(2-aminoethyl) sulfateWAS-34DTXSID3044469Ethanol, 2-amino-, hydrogen sulfate (ester)NSC 204188ETHANOLAMINE SULFATE2-Aminoethyl sulfuric acid

名称をさらに表示

NSC 3532EINECS 213-135-7AI3-16953Ethanol, 2-amino-, 1-(hydrogen sulfate)NSC-3532NSC-204188DTXCID1024469WSYUEVRAMDSJKL-UHFFFAOYSA-

データベース識別子

CAS: 926-39-6
PubChem CID: 70223
DTXSID: DTXSID3044469
ChEMBL: CHEMBL341858
ChEBI: CHEBI:232350
UNII: 9C8F910HLK
EC Number: 213-135-7
Nikkaji: J140.454G

物性

構造計算による物性

XLogP: -4.1
極性表面積: 98 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 133

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

CosmeticsSurfactant

Physical DescriptionLight yellow crystalline solid; [Aldrich MSDS]

Collision Cross Section121.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044469]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 7 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

Status: Active Update: 18-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27212

Ethanol, 2-amino-, hydrogen sulfate (ester): 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.

Hazards SummaryCauses somnolence and excitement in oral lethal-dose studies of mice; [RTECS] An irritant; Harmful by ingestion; [Aldrich MSDS] See Ethanolamine.

Hazard Classes and CategoriesAcute Tox. 4 (100%)