2,3-dimethyl-2H-indazol-6-amine hydrochloride

• ChemBase ID: 797902
• Molecular Formular: C9H12ClN3
• Molecular Mass: 197.66468
• Monoisotopic Mass: 197.07197508
• SMILES: Cl.c1(n(nc2cc(ccc12)N)C)C
• Canonical SMILES: Nc1ccc2c(c1)nn(c2C)C.Cl
• InChI: InChI=1S/C9H11N3.ClH/c1-6-8-4-3-7(10)5-9(8)11-12(6)2;/h3-5H,10H2,1-2H3;1H
• InChIKey: DYTQJZDNKWQSLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethyl-2H-indazol-6-amine hydrochloride
• IUPAC Traditional name: 2,3-dimethylindazol-6-amine hydrochloride
• Synonyms: 2,3-dimethyl-2H-indazol-6-amine hydrochloride

Database IDs

• CAS Number: 635702-60-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1447355
• LogD (pH = 7.4): 1.1470389
• Log P: 1.1470684
• Molar Refractivity: 60.8897 cm^3
• Polarizability: 19.330175 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%