1H-indazol-6-ylmethanamine hydrochloride

• ChemBase ID: 292463
• Molecular Formular: C8H10ClN3
• Molecular Mass: 183.6381
• Monoisotopic Mass: 183.05632502
• SMILES: NCc1cc2c(cc1)cn[nH]2.Cl
• Canonical SMILES: NCc1ccc2c(c1)[nH]nc2.Cl
• InChI: InChI=1S/C8H9N3.ClH/c9-4-6-1-2-7-5-10-11-8(7)3-6;/h1-3,5H,4,9H2,(H,10,11);1H
• InChIKey: CVHQOHFFJXFXBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indazol-6-ylmethanamine hydrochloride
• IUPAC Traditional name: 1H-indazol-6-ylmethanamine hydrochloride
• Synonyms: (1H-Indazol-6-yl)methanamine hydrochloride

Database IDs

• CAS Number: 943845-79-2
• PubChem SID: 180677994
• PubChem CID: 70701050

CALCULATED PROPERTIES

• Acid pKa: 13.494471
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.552531
• LogD (pH = 7.4): -1.5197024
• Log P: 0.42207614
• Molar Refractivity: 44.5465 cm^3
• Polarizability: 18.052853 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%