3-[(E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine hydrochloride

• ChemBase编号: 68180
• 分子式: C11H12ClN5
• 平均质量: 249.69948
• 单一同位素质量: 249.07812309
• SMILES: c1(c(ccc(n1)N)/N=N/c1ccccc1)N.Cl
• Canonical SMILES: Nc1ccc(c(n1)N)/N=N/c1ccccc1.Cl
• InChI: InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H/b16-15+
• InChIKey: QQBPIHBUCMDKFG-GEEYTBSJSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine hydrochloride; 3-(2-phenyldiazen-1-yl)pyridine-2,6-diamine hydrochloride
• IUPAC传统名: phenazopyridine hydrochloride; 3-(2-phenyldiazen-1-yl)pyridine-2,6-diamine hydrochloride
• 别名: 2,6-二氨基-3-(苯偶氮基)吡啶 盐酸盐; 盐酸苯偶氮吡胺; 非那吡啶 盐酸盐; Phenazopyridine HCl; Phenazopyridine hydrochloride; 3-Phenylazo-2,6-diaminopyridine hydrochloride; 3-(2-Phenyldiazenyl)-2,6-pyridinediamine Hydrochloride; 3-(Phenylazo)-2,6-pyridinediamine Monohydrochloride; 2,6-Diamino-3-phenylazopyridine Hydrochloride; Azodyne; Bisteril; Diridone; Mallophene; NC 150; Phenazodine; Phenazopyridinium Chloride; Phenylazo tablets; Pirid; Pyridacil; Pyridiate; Pyridium; Pyripyridium; Sedural; Uridinal; Urisept; W 1655; Phenazopyridine Hydrochloride; 2,6-Diamino-3-(phenylazo)pyridine hydrochloride; Urodine; PHENAZOPYRIDINE

登记号

• CAS号: 136-40-3
• EC号: 205-243-8
• MDL号: MFCD00035347
• PubChem SID: 162033912; 24898945; 24860855
• PubChem CID: 8691

理论计算性质

• Acid pKa: 18.848724
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 1.4064969
• LogD (pH = 7.4): 2.5843492
• Log P: 2.6925302
• 摩尔折射率: 68.2479 cm^3
• 极化性: 22.945698 Å^3
• 极化表面积: 89.65 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Slightly Soluble in Cold Water
• 外观: Brick-Red Crystals
• 熔点: >200°C(dec.)

安全信息

• 保存条件: Amber Vial, -20°C Freezer
• 保存注意事项: IRRITANT
• RTECS编号: US7875000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38-40
• 安全公开号: 26-36/37
• TSCA收录: false
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335-H351
• GHS警示性声明: P261-P281-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

药理学性质

• 作用靶点: Others

产品相关信息

• 纯度: 95+%
• 级别: VETRANAL™, analytical standard
• 成盐信息: HCl
• Empirical Formula (Hill Notation): C11H11N5 · HCl

详细说明

MP Biomedicals - 02156135

(2,6-Diamino-3-[phenylazo]-
pyridine)
Hydrochloride

Sigma Aldrich - 34076

法律信息
VETRANAL 商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - P313750

An azo dye used in treatment of urinary tract infections. Used as an analgesic (urinary tract).

参考文献

• Becker, B.A., et al.: Toxicol. Appl. Pharmacol., 1, 42 (1959)
• Blessel, K.W., et al.: Anal. Profiles Drug. Subs., 3, 465 (1959)
• Shang, E., et al.: Anal. Bioanal. Chem., 382, 216 (1959)