2-(5-amino-2H-indazol-2-yl)ethan-1-ol

• ChemBase ID: 64961
• Molecular Formular: C9H11N3O
• Molecular Mass: 177.20314
• Monoisotopic Mass: 177.09021199
• SMILES: c1(ccc2c(c1)cn(n2)CCO)N
• Canonical SMILES: OCCn1cc2c(n1)ccc(c2)N
• InChI: InChI=1S/C9H11N3O/c10-8-1-2-9-7(5-8)6-12(11-9)3-4-13/h1-2,5-6,13H,3-4,10H2
• InChIKey: UZVCEOMENYALEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-2H-indazol-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-(5-aminoindazol-2-yl)ethanol
• Synonyms: 2-(5-Amino-2H-indazol-2-yl)ethanol; 2-(5-Amino-2H-indazol-2-yl)ethan-1-ol; 5-Amino-2-(2-hydroxyethyl)-2H-indazole

Database IDs

• CAS Number: 1105187-46-9
• MDL Number: MFCD11846209
• PubChem SID: 162030700
• PubChem CID: 46839890

CALCULATED PROPERTIES

• Acid pKa: 15.397139
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.25422847
• LogD (pH = 7.4): 0.25736484
• Log P: 0.25740498
• Molar Refractivity: 62.0323 cm^3
• Polarizability: 20.004025 Å^3
• Polar Surface Area: 64.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 95%; 95+%