1-phenylpiperazine hydrochloride

• ChemBase编号: 138188
• 分子式: C10H15ClN2
• 平均质量: 198.6925
• 单一同位素质量: 198.09237617
• SMILES: c1ccc(cc1)N1CCNCC1.Cl
• Canonical SMILES: N1CCN(CC1)c1ccccc1.Cl
• InChI: InChI=1S/C10H14N2.ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H
• InChIKey: NQNZNONJZASOKL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-phenylpiperazine hydrochloride
• IUPAC传统名: phenylpiperazine hydrochloride
• 别名: 1-苯基哌嗪盐酸盐; 1-苯基哌嗪 盐酸盐; 1-Phenylpiperazine Dihydrochloride; 4-Phenylpiperazine Dihydrochloride; N-Phenylpiperazine Dihydrochloride; 1-Phenylpiperazine Dihydrochloride; 1-Phenylpiperazine hydrochloride; 1-Phenylpiperazine hydrochloride

登记号

• CAS号: 4004-95-9; 2210-93-7
• EC号: 218-646-9
• MDL号: MFCD00012758
• PubChem SID: 24857003; 162232446
• PubChem CID: 75164

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.4620405
• LogD (pH = 7.4): 0.052540626
• Log P: 1.5453613
• 摩尔折射率: 51.242 cm^3
• 极化性: 19.658602 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: DMSO; Water
• 外观: White Solid
• 熔点: 221-223°C; 247-250 °C(lit.); 247-250°C

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• RTECS编号: TM2640000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811; 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): 3; II
• 危险公开号: 22-24-36/37/38; 23/24/25-36/37/38
• 安全公开号: 26-27-36/37-45; 26-28-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H315-H319-H331-H335; H301-H311-H315-H319-H335
• GHS警示性声明: P261-P280-P301 + P310-P305 + P351 + P338-P311; P280H-P305+P351+P338-P361-P309-P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: 95+%; 99%
• Empirical Formula (Hill Notation): C10H14N2 · HCl

详细说明

Toronto Research Chemicals - P336040

1-Phenylpiperazine was tested for its activity as a topical glaucoma agent.

参考文献

• Blevins, W., et al.: J. Bacteriol., 112, 513 (1972)
• Cohen, M., et al.: J. Pharmacol. Exp. Ther., 223, 110 (1972)
• Parshikov, I., et al.: Appl. Microbiol. Biotechnol., 56, 474 (1972)