Serotonin Hydrochloride

HCID 160436CAS 153-98-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.NCCc1c[nH]c2ccc(O)cc12
InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N
分子式: C10H13ClN2O
平均分子量: 212.67 g/mol
単同位体質量: 212.07164072

概要

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

名称と識別子

優先名称: Serotonin Hydrochloride
IUPAC: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 62 Å²
水素結合供与体数: 4
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 174

実験および物理化学的性質

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]

安全と法規制

GHS分類

GHS Classification · 4 件

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.