piperazine

• ChemBase编号: 474
• 分子式: C4H10N2
• 平均质量: 86.1356
• 单一同位素质量: 86.08439833
• SMILES: N1CCNCC1
• Canonical SMILES: N1CCNCC1
• InChI: InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
• InChIKey: GLUUGHFHXGJENI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: piperazine
• IUPAC传统名: piperazine
• 商标名: Anatensol; Antepan; Antepar; Antiren; Asca-Trol No. 3; Bryrel; Dapotum; Dispermine; Entacyl; Eraverm; Lumbrical; Lyogen; Moditen; Multifuge; Omca; Pacinol; Permitil; Piperazidine; Pipersol; Siqualone; Tasnon; Tensofin; Upixon; Uvilon; Valamina; Vermex; Vermidol; Vermizine; Worm-A-Ton; Worm-away; Wurmirazin
• 别名: 二乙烯二胺; 对二氮己环; 哌嗪; 无水哌嗪; 1,4-Diazacyclohexane; Piperazine; Triptorelin; Piperazidine; fluphenazine dihydrochloride; Glycine anhydride; Hexahydropyrazine; Diethylenediamine; Diethyleneimine; Diketopiperazine; Piperazin [Germany]; Piperazine Citrate; Piperazin; Piperazine hexahydrate; Piperazine hydrate; Prolixin Decanoate; Piperazine; Anthalazine; PIPERAZINE HEXAHYDRATE; 1,4-Diethylenediamine; Antiren; PIPERAZINE DIHYDROCHLORIDE; Tripiperazine dicitrate; PIPERAZINE CITRATE SALT; PIPERAZINE, ANHYDROUS; Piperazine 99%; Piperazine, anhydrous

登记号

• CAS号: 57773-63-4; 142-64-3; 142-63-2; 110-85-0; 144-29-6
• EC号: 203-808-3; 205-551-2; 205-622-8
• MDL号: MFCD00005953
• Beilstein号: 102555
• 默克索引号: 147464
• PubChem SID: 24898556; 160963937; 24887569; 46507642
• PubChem CID: 4837
• CHEBI ID: 28568
• ATC码: P02CB01; L02AE04
• CHEMBL: 1412
• Chemspider ID: 13835459
• DrugBank ID: DB00592
• FEMA编号: 4250
• KEGG ID: D00807
• 美国药典/FDA物质标识码: 9081Y98W2V; 1RTM4PAL0V
• 维基百科标题: Triptorelin; Piperazine
• Medline Plus: a697045
• Flavis Number: 14.141

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -4.077815
• LogD (pH = 7.4): -2.859133
• Log P: -0.72880685
• 摩尔折射率: 25.4488 cm^3
• 极化性: 10.427217 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -1.16
• LOG S: 0.63
• 溶解度: 3.71e+02 g/l

分子性质

理化性质

• 溶解度: 150 mg/mL; Freely soluble in water; H2O: soluble0.1 M at 20 °C, clear, colorless
• 外观: White crystalline solid
• 熔点: 106°C; 107 - 111 °C; 108-113°C; 108-113°C; 109-112 °C(lit.); 44-45°C
• 沸点: 145-146 °C(lit.); 145-148°C; 145-156°C; 146 - 148 °C; 146°C; 146-148°C
• 闪点: 109 °C; 109°C; 228.2 °F; 87.7°C; 88°C(190°F)
• 自燃点: 320 °C (DIN 51794)
• 密度: 1.1 g/cm^3 at 20 °C; 1.100; 1.110
• 折射率: 1.4460
• 蒸汽压: 0.8 mmHg ( 20 °C); 15 hPa at 50 °C
• 蒸汽密度: 3.0 (air = 1)
• 紫外吸收波长: λ: 260 nm Amax: 0.035; λ: 280 nm Amax: 0.010
• 疏水性(logP): -0.8
• pKa: 9.8
• pKb: 4.19
• pH值: 11.0-12.5 (25 °C, 0.1 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate, Protect from light
• 保存注意事项: Corrosive/Teratogenic/Irritant/Air Sensitive/Light Sensitive/Moisture Sensitive/Very Hygroscopic/Store under Argon; Hygroscopic; IRRITANT
• RTECS编号: TK7800000; TL3485000; TL4025000; TM0850000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2579; UN2579
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 34-42/43-62-63; 63-34-42/43-62; R:34; R:34-42/43-52/53
• 安全公开号: 22-26-36/37/39-45; S:22-26-45-61-36/37/39; S:26-27/28-36/37/39-46-64
• 欧盟危险货物分类: C10
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 153
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS08
• GHS警示词: Danger
• NFPA704:
  

  2

  2

  0
• 爆炸极限: 14 %
• GHS危险声明: H314-H317-H334-H361fd; H334-H317-H361-H314
• GHS警示性声明: P260-P285-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2579 8/PG 3

药理学性质

• 给药途径: Implant
• 排泄: Renal
• 蛋白结合率: 60-70%
• 法定药品分级: ?-only
• 妊娠期药物分类: D

产品相关信息

• 纯度: ≥99.0% (T); 93%; 95+%; 98%; 99%
• 级别: ReagentPlus®
• 杂质: <1% water; ≤1% water; insoluble matter, passes filter test
• 痕量阳离子: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 0.1 M in H2O
• 产品线: BioUltra
• Empirical Formula (Hill Notation): C4H10N2

详细说明

MP Biomedicals - 02151900

Anhydrous
Crystalline
Purity: 99%
Reagent useful for removal of the FMOC-amino protecting group.

MP Biomedicals - 02102661

Hexahydrate
Crystalline
Purity: 98%

MP Biomedicals - 02156269

Citrate Salt
Crystalline

MP Biomedicals - 02156270

Dihydrochloride

MP Biomedicals - 05216837

MP Biomedicals Rare Chemical collection

DrugBank - DB00592

• Drug Groups: approved
• Description: Piperazine is an organic compound that consists of a six-membered ring containing two opposing nitrogen atoms. Piperazine exists as small alkaline deliquescent crystals with a saline taste.; ; Piperazine was introduced to medicine as a solvent for uric acid. When taken into the body the drug is partly oxidized and partly eliminated unchanged. Outside the body, piperazine has a remarkable power to dissolve uric acid and producing a soluble urate, but in clinical experience it has not proved equally successful.; ; Piperazine was first introduced as an anthelmintic in 1953. A large number of piperazine compounds have anthelmintic action. Their mode of action is generally by paralysing parasites, which allows the host body to easily remove or expel the invading organism.
• Indication: Used as alternative treatment for ascariasis caused by Ascaris lumbricoides (roundworm) and enterobiasis (oxyuriasis) caused by Enterobius vermicularis (pinworm). It is also used to treat partial intestinal obstruction by the common roundworm, a condition primarily occurring in children.
• Pharmacology: Piperazine is an anthelminthic especially useful in the treatment of partial intestinal obstruction caused by Ascaris worms, which is a condition primarily seen in children. Piperazine hydrate and piperazine citrate are the main anthelminthic piperazines.
• Toxicity: LD₅₀ = 5 g/kg (Human, oral). Symptoms of overdose include muscle fatigue, seizures, and difficulty breathing.
• Affected Organisms: Parasitic nematodes and other roundworms
• Biotransformation: About 25% is metabolized in the liver. Piperazine is nitrosated to form N -mononitrosopiperazine (MNPz) in gastric juice, which is then metabolized to N-nitroso-3-hydroxypyrrolidine (NHPYR).
• Absorption: Rapidly absorbed from the gastrointestinal tract
• Protein Binding: 60-70%
• External Links: Wikipedia; Drugs.com

Sigma Aldrich - P45907

Application
各种药物、聚合物、染料、抗腐蚀剂、橡胶促进剂和表面活性剂的中间体。
包装
1 kg in poly bottle
5 g in glass bottle
100, 500 g in poly bottle
2.5 kg in poly drum
法律信息
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