2-methyl-2H-indazol-7-amine

• ChemBase ID: 64331
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c12c(cn(n1)C)cccc2N
• Canonical SMILES: Cn1cc2c(n1)c(N)ccc2
• InChI: InChI=1S/C8H9N3/c1-11-5-6-3-2-4-7(9)8(6)10-11/h2-5H,9H2,1H3
• InChIKey: KNZJAZZOKTUEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-indazol-7-amine
• IUPAC Traditional name: 2-methylindazol-7-amine
• Synonyms: 2-Methyl-2H-indazol-7-amine; 7-Amino-2-methyl-2H-indazole; 7-Amino-2-methylindazole

Database IDs

• CAS Number: 90223-02-2
• MDL Number: MFCD03787880
• PubChem SID: 162030070
• PubChem CID: 1480773

CALCULATED PROPERTIES

• Acid pKa: 19.028072
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9472055
• LogD (pH = 7.4): 0.9475032
• Log P: 0.947507
• Molar Refractivity: 55.74 cm^3
• Polarizability: 17.57266 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%