1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine dihydrochloride

• ChemBase ID: 278050
• Molecular Formular: C10H19Cl2N3
• Molecular Mass: 252.18396
• Monoisotopic Mass: 251.09560298
• SMILES: n1(c2c(cn1)CCC(C2)N)C(C)C.Cl.Cl
• Canonical SMILES: CC(n1ncc2c1CC(N)CC2)C.Cl.Cl
• InChI: InChI=1S/C10H17N3.2ClH/c1-7(2)13-10-5-9(11)4-3-8(10)6-12-13;;/h6-7,9H,3-5,11H2,1-2H3;2*1H
• InChIKey: YWHYDYUPTVPVPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine dihydrochloride
• IUPAC Traditional name: 1-isopropyl-4,5,6,7-tetrahydroindazol-6-amine dihydrochloride
• Synonyms: 1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine dihydrochloride

Database IDs

• MDL Number: MFCD19982491
• PubChem SID: 164333960
• PubChem CID: 54594814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1960247
• LogD (pH = 7.4): -1.6806425
• Log P: 0.8244424
• Molar Refractivity: 64.9259 cm^3
• Polarizability: 20.584517 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.37

Product Information

• Purity: 95%