7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrochloride

• ChemBase编号: 102975
• 分子式: C13H13ClN2O
• 平均质量: 248.70812
• 单一同位素质量: 248.07164073
• SMILES: Cl.COc1cc2c(cc1)c1ccnc(C)c1[nH]2
• Canonical SMILES: COc1ccc2c(c1)[nH]c1c2ccnc1C.Cl
• InChI: InChI=1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H
• InChIKey: VNPLYCKZIUTKJM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrochloride
• IUPAC传统名: harmine hydrochloride
• 别名: 7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrochloride; HARMINE HYDROCHLORIDE

登记号

• CAS号: 343-27-1
• EC号: 206-443-8
• PubChem SID: 162091288
• PubChem CID: 5359389

理论计算性质

• Acid pKa: 13.542986
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.1702937
• LogD (pH = 7.4): 1.8238173
• Log P: 1.8469121
• 摩尔折射率: 62.37 cm^3
• 极化性: 26.53343 Å^3
• 极化表面积: 37.91 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 269-271°C (dec.)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: MG9450000

产品相关信息

• 纯度: 98%

详细说明

MP Biomedicals - 02150129

Hydrochloride
Purity: 98%
Off-white to pale green
Acts as a monoamine oxidase inhibitor

MP Biomedicals - 05210554

MP Biomedicals Rare Chemical collection