4-methyl-1H-indol-6-amine

• ChemBase ID: 286945
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: Nc1cc2c(c(C)c1)cc[nH]2
• Canonical SMILES: Nc1cc(C)c2c(c1)[nH]cc2
• InChI: InChI=1S/C9H10N2/c1-6-4-7(10)5-9-8(6)2-3-11-9/h2-5,11H,10H2,1H3
• InChIKey: ZYAFKHGCCIVCQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1H-indol-6-amine
• IUPAC Traditional name: 4-methyl-1H-indol-6-amine
• Synonyms: 4-Methyl-1H-indol-6-amine

Database IDs

• CAS Number: 139121-40-7
• MDL Number: MFCD07781470
• PubChem SID: 180672476
• PubChem CID: 21218291

CALCULATED PROPERTIES

• Acid pKa: 17.472351
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.7427019
• LogD (pH = 7.4): 1.7563267
• Log P: 1.7565032
• Molar Refractivity: 46.8861 cm^3
• Polarizability: 18.505981 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%