2-methyl-2H-indazol-4-amine

• ChemBase ID: 64329
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c12c(nn(c1)C)cccc2N
• Canonical SMILES: Cn1nc2c(c1)c(N)ccc2
• InChI: InChI=1S/C8H9N3/c1-11-5-6-7(9)3-2-4-8(6)10-11/h2-5H,9H2,1H3
• InChIKey: RMCAMILOUFSNOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-indazol-4-amine
• IUPAC Traditional name: 2-methylindazol-4-amine
• Synonyms: 2-Methyl-2H-indazol-4-amine; 2-Methyl-2H-indazol-4-amine; 4-Amino-2-methyl-2H-indazole 95%; 2-Methyl-2H-indazol-4-ylamine

Database IDs

• CAS Number: 82013-51-2
• MDL Number: MFCD09870044
• PubChem SID: 162030068
• PubChem CID: 15413170

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.946592
• LogD (pH = 7.4): 0.94749546
• Log P: 0.947507
• Molar Refractivity: 55.74 cm^3
• Polarizability: 17.568398 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%