1-(1H-indazol-7-yl)ethan-1-amine

• ChemBase ID: 87453
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n1cc2cccc(c2[nH]1)C(C)N
• Canonical SMILES: CC(c1cccc2c1[nH]nc2)N
• InChI: InChI=1S/C9H11N3/c1-6(10)8-4-2-3-7-5-11-12-9(7)8/h2-6H,10H2,1H3,(H,11,12)
• InChIKey: HCYNVWJCCNTOAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-indazol-7-yl)ethan-1-amine
• IUPAC Traditional name: 1-(1H-indazol-7-yl)ethanamine
• Synonyms: 1-(1H-Indazol-7-yl)ethylamine; 7-(1-Aminoethyl)-1H-indazole

Database IDs

• PubChem SID: 162104512
• PubChem CID: 44119241

CALCULATED PROPERTIES

• Acid pKa: 13.260075
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.171214
• LogD (pH = 7.4): -1.4657412
• Log P: 0.8386511
• Molar Refractivity: 48.9653 cm^3
• Polarizability: 19.900673 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant