2-methyl-1H-indol-6-amine

• ChemBase ID: 798931
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: c1(cc2ccc(cc2[nH]1)N)C
• Canonical SMILES: Nc1ccc2c(c1)[nH]c(c2)C
• InChI: InChI=1S/C9H10N2/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,11H,10H2,1H3
• InChIKey: OAIIKIWHCVTWKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1H-indol-6-amine
• IUPAC Traditional name: 2-methyl-1H-indol-6-amine
• Synonyms: 2-Methyl-1H-indol-6-amine

Database IDs

• CAS Number: 102308-53-2

CALCULATED PROPERTIES

• Acid pKa: 17.24506
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.4321452
• LogD (pH = 7.4): 1.4425094
• Log P: 1.4426432
• Molar Refractivity: 46.9946 cm^3
• Polarizability: 18.504316 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%