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

• ChemBase ID: 68180
• Molecular Formular: C11H12ClN5
• Molecular Mass: 249.69948
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine hydrochloride; 3-(2-phenyldiazen-1-yl)pyridine-2,6-diamine hydrochloride
• IUPAC Traditional name: phenazopyridine hydrochloride; 3-(2-phenyldiazen-1-yl)pyridine-2,6-diamine hydrochloride
• Synonyms: 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; 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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 18.848724
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4064969
• LogD (pH = 7.4): 2.5843492
• Log P: 2.6925302
• Molar Refractivity: 68.2479 cm^3
• Polarizability: 22.945698 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Slightly Soluble in Cold Water
• Apperance: Brick-Red Crystals
• Melting Point: >200°C(dec.)

Safety Information

• Storage Condition: Amber Vial, -20°C Freezer
• Storage Warning: IRRITANT
• RTECS: US7875000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38-40
• Safety Statements: 26-36/37
• TSCA Listed: false
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H351
• GHS Precautionary statements: P261-P281-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: 95+%
• Grade: VETRANAL™, analytical standard
• Salt Data: HCl
• Empirical Formula (Hill Notation): C11H11N5 · HCl

DETAILS

MP Biomedicals - 02156135

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

Sigma Aldrich - 34076

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - P313750

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

REFERENCES

• 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)