3-(2-hydrazinylethyl)-1H-indole

• ChemBase ID: 799620
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: c1c(c2ccccc2[nH]1)CCNN
• Canonical SMILES: NNCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C10H13N3/c11-13-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12-13H,5-6,11H2
• InChIKey: IDDSMAGHZDFZBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-hydrazinylethyl)-1H-indole
• IUPAC Traditional name: 3-(2-hydrazinylethyl)-1H-indole
• Synonyms: 3-(2-hydrazinylethyl)-1H-indole

Database IDs

• CAS Number: 21216-31-9

CALCULATED PROPERTIES

• Acid pKa: 17.151278
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 0.9335502
• LogD (pH = 7.4): 1.2945523
• Log P: 1.301782
• Molar Refractivity: 65.3498 cm^3
• Polarizability: 22.067291 Å^3
• Polar Surface Area: 53.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%