2-(1H-indol-3-yl)ethan-1-amine hydrochloride

• ChemBase编号: 102816
• 分子式: C10H13ClN2
• 平均质量: 196.67662
• 单一同位素质量: 196.07672611
• SMILES: Cl.NCCc1c[nH]c2c1cccc2
• Canonical SMILES: NCCc1c[nH]c2c1cccc2.Cl
• InChI: InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H
• InChIKey: KDFBGNBTTMPNIG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1H-indol-3-yl)ethan-1-amine hydrochloride
• IUPAC传统名: tryptamine hydrochloride
• 别名: β-吲哚基乙胺 盐酸盐; 3-(2-氨乙基)吲哚 盐酸盐; 色胺 盐酸盐; 色胺盐酸盐; 2-(3-Indolyl)ethylamine hydrochloride; 3-(2-Aminoethyl)indole hydrochloride; TRYPTAMINE HYDROCHLORIDE; Tryptamine hydrochloride; 2-(1H-indol-3-yl)ethanamine hydrochloride

登记号

• CAS号: 343-94-2
• EC号: 206-446-4
• MDL号: MFCD00012682
• Beilstein号: 3568419
• 默克索引号: 149796
• PubChem SID: 24889915; 162091286; 24278134
• PubChem CID: 67652

理论计算性质

• 极化表面积: 41.81 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true
• Acid pKa: 17.170311
• 质子受体: 1
• 质子供体: 2
• LogD (pH = 5.5): -1.5201834
• LogD (pH = 7.4): -0.7703921
• Log P: 1.4864374
• 摩尔折射率: 50.3729 cm^3
• 极化性: 20.77308 Å^3

分子性质

理化性质

• 熔点: 252-255°C; 253-255 °C; 253-255 °C(lit.)

安全信息

• 保存条件: 0°C
• RTECS编号: NL4375000
• 欧盟危险性物质标志: X
• 德国WGK号: 3
• 危险公开号: 22-36
• 安全公开号: 26-36
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS危险声明: H301-H319
• GHS警示性声明: P280-P301+P310-P305+P351+P338-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (AT); 95+%; 98%; 98+%; 99%
• 成盐信息: HCl
• Empirical Formula (Hill Notation): C10H12N2 · HCl
• 分类: Genuine Natural Compounds

详细说明

MP Biomedicals - 02103143

Yellow crystals
Hydrochloride
Purity: 98%

Sigma Aldrich - 246557

Biochem/physiol Actions
具有血管活性；可能具有神经调质功能。
Other Notes
由色氨酸经 L-芳香氨基酸脱羧酶作用进行脱羧而形成的生物胺。
包装
25 g in poly bottle
5 g in glass bottle
Application
Reactant for preparation of:
• Tryptamine derivatives as inhibitors against hepatitis B virus1
• Carbamoyl epipodophyllotoxins as potential antitumor agents2
• Anthranilic acid derivatives as CCK receptor antagonists3
• Brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors4
• Antispasmodic agents5
• β-carbolinium cations as new antimalarial agents6

Sigma Aldrich - 93650

Biochem/physiol Actions
具有血管活性；可能具有神经调质功能。
Other Notes
由色氨酸经 L-芳香氨基酸脱羧酶作用进行脱羧而形成的生物胺。
用于芳基胺 N-甲基转移酶测定的底物7；也用于测定组织匀浆中的单胺氧化酶的活性8
Application
Reactant for preparation of:
• Tryptamine derivatives as inhibitors against hepatitis B virus1
• Carbamoyl epipodophyllotoxins as potential antitumor agents2
• Anthranilic acid derivatives as CCK receptor antagonists3
• Brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors4
• Antispasmodic agents5
• β-carbolinium cations as new antimalarial agents6