Aminoethyl sulfate

HCID 70223CAS 926-39-6

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기본 정보

표준 SMILES: NCCOS(=O)(=O)O
InChIKey: WSYUEVRAMDSJKL-UHFFFAOYSA-N
분자식: C2H7NO4S
평균 분자량: 141.15 g/mol
단동위원소 질량: 141.0095787

개요

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

이름 및 식별자

우선 이름: Aminoethyl sulfate
IUPAC: 2-aminoethyl hydrogen sulfate

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -4.1
극성 표면적: 98 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

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]

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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%)