1H-indazol-4-amine

• ChemBase ID: 41411
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c12c([nH]nc1)cccc2N
• Canonical SMILES: Nc1cccc2c1cn[nH]2
• InChI: InChI=1S/C7H7N3/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H,8H2,(H,9,10)
• InChIKey: MDELYEBAXHZXLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-4-amine
• IUPAC Traditional name: 1H-indazol-4-amine
• Synonyms: 1H-Indazol-4-amine; 1H-Indazol-4-amine; 4-Amino-1H-indazole

Database IDs

• CAS Number: 41748-71-4
• MDL Number: MFCD00077039; MFCD03305710
• PubChem SID: 162046174
• PubChem CID: 413085

CALCULATED PROPERTIES

• Acid pKa: 14.319619
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.46659654
• LogD (pH = 7.4): 0.4673718
• Log P: 0.46738175
• Molar Refractivity: 40.7735 cm^3
• Polarizability: 15.797839 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-143°C; 145 - 147°C; 148 - 150 °C; 148-150°C
• Hydrophobicity(logP): 1.036

Safety Information

• Storage Condition: Store under N2
• Storage Warning: IRRITANT; Toxic/Light Sensitive/Keep Cold
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%; 97%; 98%