4-Amino-1-Phenylpyrazolo[3,4-d]Pyrimidine
[CAS# 5334-30-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Phenylpyrimidine
• Name: 4-Amino-1-Phenylpyrazolo[3,4-d]Pyrimidine
• Synonyms: 1-Phenyl-4-Pyrazolo[4,5-E]Pyrimidinamine; (1-Phenylpyrazolo[4,5-E]Pyrimidin-4-Yl)Amine; Oprea1_329529
• Molecular Formula: C₁₁H₉N₅
• Molecular Weight: 211.23
• CAS Registry Number: 5334-30-5
• SMILES: C1=CC=CC=C1[N]2N=CC3=C2N=CN=C3N
• InChI: 1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)
• InChIKey: KKDPIZPUTYIBFX-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 214-217°C (Expl.)
• Boiling point: 364.0±35.0°C at 760 mmHg (Cal.)
• Flash point: 173.9±25.9°C (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 25 mM in ethanol

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract