2-methyl-2H-indazol-6-amine

• ChemBase ID: 43256
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c12nn(cc1ccc(c2)N)C
• Canonical SMILES: Nc1ccc2c(c1)nn(c2)C
• InChI: InChI=1S/C8H9N3/c1-11-5-6-2-3-7(9)4-8(6)10-11/h2-5H,9H2,1H3
• InChIKey: MHCWLERQNFATHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-indazol-6-amine
• IUPAC Traditional name: 2-methylindazol-6-amine
• Synonyms: 2-Methyl-2H-indazol-6-amine; 2-Methyl-2H-indazol-6-amine; 6-Amino-2-methyl-2H-indazole

Database IDs

• CAS Number: 50593-30-1
• MDL Number: MFCD00464866
• PubChem SID: 162048019
• PubChem CID: 590220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9456602
• LogD (pH = 7.4): 0.9474837
• Log P: 0.947507
• Molar Refractivity: 55.74 cm^3
• Polarizability: 17.566975 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150 °C; 148-150°C
• Partition Coefficient: 0.681

Safety Information

• Storage Condition: Store under N2
• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%