3-(2-aminoethyl)-1H-indol-5-ol hydrochloride

• ChemBase编号: 103982
• 分子式: C10H13ClN2O
• 平均质量: 212.67602
• 单一同位素质量: 212.07164073
• SMILES: Cl.NCCc1c[nH]c2c1cc(O)cc2
• Canonical SMILES: NCCc1c[nH]c2c1cc(O)cc2.Cl
• InChI: InChI=1S/C10H12N2O.ClH/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;/h1-2,5-6,12-13H,3-4,11H2;1H
• InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2-aminoethyl)-1H-indol-5-ol hydrochloride
• IUPAC传统名: serotonin hydrochloride
• 别名: 3-(2-氨乙酸)吲哚 盐酸盐; 5-羟色胺盐酸盐; 5-HT; 5-Hydroxytryptamine hydrochloride; Serotonin hydrochloride; Serotonin HCl; Serotonin HCl; 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride; 5-HYDROXYTRYPTAMINE; 3-(2-Aminoethyl)-1H-indol-5-ol Hydrochloride; Hippophaine Hydrochloride; Serotonin Hydrochloride

登记号

• CAS号: 153-98-0
• EC号: 244-464-4
• MDL号: MFCD00012686
• Beilstein号: 3570963
• 默克索引号: 148463
• PubChem SID: 24278124; 162091496
• PubChem CID: 160436

理论计算性质

• Acid pKa: 9.314034
• 质子受体: 2
• 质子供体: 3
• LogD (pH = 5.5): -1.8204005
• LogD (pH = 7.4): -1.0317981
• Log P: 0.481548
• 摩尔折射率: 52.3538 cm^3
• 极化性: 21.302618 Å^3
• 极化表面积: 62.04 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 0.1 M HCl: soluble22 mg/mL; ethanol: soluble5.3 mg/mL; H2O: soluble17 mg/mL; Methanol; Water
• 外观: Off-White Solid; white to off-white powder
• 熔点: 147-153°C; 149-154 °C(lit.); 167-172°C; 169-171°C; 177-180 °C

安全信息

• 保存条件: 0°C, Store Under Nitrogen; Hygroscopic, Refrigerator, Under Inert Atmosphere
• 保存注意事项: Light Sensitive & Hygroscopic
• RTECS编号: NM2571000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: UN2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 20/21/22-36/37/38; 25
• 安全公开号: 22-26-36; 36-45
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301; H302-H312-H315-H319-H332-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P264-P270-P301+P310-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 作用靶点: Others
• 相关基因信息: human ... HTR3A(3359)

产品相关信息

• 纯度: ≥98%; ≥98.0% (HPLC); 99%
• 成盐信息: HCl
• 杂质: <4% ethanol; <5% water; ≤5% ethanol; ≤5% water
• Empirical Formula (Hill Notation): C10H12N2O · HCl

详细说明

MP Biomedicals - 02153765

Hydrochloride
A neurotransmitter

Sigma Aldrich - H9523

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Neurotransmitter.
包装
1 g in glass bottle
100, 250 mg in glass bottle
25 mg in poly bottle
Preparation Note
Solutions should be freshly prepared.

Sigma Aldrich - 460559

Biochem/physiol Actions
Neurotransmitter.
包装
100 mg in glass bottle

Sigma Aldrich - 85036

Biochem/physiol Actions
Neurotransmitter.
Other Notes
Reviews on: the physiological activities of serotonin1; serotonin neurochemistry2,3,4; the mechanisms of serotonergic signal transduction5.

Toronto Research Chemicals - S274980

Serotonin is a monoamine neurotransmitter.

参考文献

• Kuraishi, Y., et al.: Biol. Pharm. Bull., 31, 2143 (2008)
• Morera, E., et al.: Bioorg. Med. Chem. Lett., 19, 6806 (2008)
• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2008)