Serotonin Hydrochloride

HCID 160436CAS 153-98-0

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기본 정보

표준 SMILES: Cl.NCCc1c[nH]c2ccc(O)cc12
InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N
분자식: C10H13ClN2O
평균 분자량: 212.67 g/mol
단동위원소 질량: 212.07164072

개요

Serotonin hydrochloride is a member of tryptamines. It is functionally related to a serotonin.

이름 및 식별자

우선 이름: Serotonin Hydrochloride
IUPAC: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride

이름 및 동의어

Serotonin hydrochloride153-98-0Serotonin HCl1H-Indol-5-ol, 3-(2-aminoethyl)-, monohydrochlorideCCRIS 4420UNII-GKN429M9VSGKN429M9VSLiquid SerotoninSerotonin PhenolicRefChem:57805Serotonin (Hydrochloride)5-Hydroxytryptamine hydrochloride

이름 더 보기

3-(2-aminoethyl)-1H-indol-5-ol hydrochloride3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride3-(2-Aminoethyl)-5-hydroxyindole hydrochlorideMFCD000126865-Hydroxytryptamine HCl3-(2-aminoethyl)indol-5-ol, chloride2-(5-hydroxy-1H-indol-3-yl)ethylazanium;chloride5-Hydroxytryptamine hydrochloride;5-HT hydrochloride

데이터베이스 식별자

CAS: 153-98-0、21591-86-6
PubChem CID: 160436
DTXSID: DTXSID80165186
ChEMBL: CHEMBL535832
ChEBI: CHEBI:181195
UNII: GKN429M9VS
EC Number: 244-464-4、628-480-2

물성

구조 계산 물성

극성 표면적: 62 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 174

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Other Biomolecules

Solubility>31.9 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionHygroscopic solid; [Merck Index] Hygroscopic powder; [Alfa Aesar MSDS]

Collision Cross Section127.9 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (14.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.