2-(propan-2-yl)-2H-indazol-6-amine dihydrochloride

• ChemBase ID: 277255
• Molecular Formular: C10H15Cl2N3
• Molecular Mass: 248.1522
• Monoisotopic Mass: 247.06430286
• SMILES: c12nn(cc1ccc(c2)N)C(C)C.Cl.Cl
• Canonical SMILES: Nc1ccc2c(c1)nn(c2)C(C)C.Cl.Cl
• InChI: InChI=1S/C10H13N3.2ClH/c1-7(2)13-6-8-3-4-9(11)5-10(8)12-13;;/h3-7H,11H2,1-2H3;2*1H
• InChIKey: ZSBMNCLOQZEZGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-2H-indazol-6-amine dihydrochloride
• IUPAC Traditional name: 2-isopropylindazol-6-amine dihydrochloride
• Synonyms: 2-isopropyl-2H-indazol-6-amine dihydrochloride

Database IDs

• MDL Number: MFCD19982363
• PubChem SID: 164333165
• PubChem CID: 53621912

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.7208651
• Log P: 1.7208899
• Molar Refractivity: 64.9074 cm^3
• Polarizability: 21.260355 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7189164

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.021

Product Information

• Purity: 95%