1-(naphthalen-1-yl)piperazine hydrochloride

• ChemBase编号: 103933
• 分子式: C14H17ClN2
• 平均质量: 248.75118
• 单一同位素质量: 248.10802623
• SMILES: Cl.C1CN(CCN1)c1c2ccccc2ccc1
• Canonical SMILES: N1CCN(CC1)c1cccc2c1cccc2.Cl
• InChI: InChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H
• InChIKey: ZYVYPNZFOCZLEM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(naphthalen-1-yl)piperazine hydrochloride
• IUPAC传统名: naphthylpiperazine hydrochloride
• 别名: 1-(1-Naphthyl)piperazine hydrochloride; 1-(Naphthalen-1-yl)piperazine hydrochloride; 1-(1-NAPHTHYL)PIPERAZINE

登记号

• CAS号: 57536-86-4; 104113-71-5
• MDL号: MFCD00055161
• PubChem SID: 24278118; 162091546
• PubChem CID: 2737391

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.46359554
• LogD (pH = 7.4): 1.0621687
• Log P: 2.534838
• 摩尔折射率: 67.6922 cm^3
• 极化性: 27.261673 Å^3
• 极化表面积: 15.27 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

• 溶解度: ethanol: slightly soluble; H2O: soluble
• 外观: white needles
• 熔点: 318°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 相关基因信息: human ... HTR1A(3350), HTR1B(3351), HTR1D(3352), HTR1E(3354), HTR1F(3355), HTR2A(3356), HTR2B(3357), HTR2C(3358)

详细说明

MP Biomedicals - 02153612

Hydrochloride
Serotonin 5-HT1 agonist; 5-HT2 antagonist.

Sigma Aldrich - S003

Biochem/physiol Actions
5-HT1 serotonin receptor agonist; 5-HT2 serotonin receptor antagonist.