N-methyl-1H-indol-7-amine

• ChemBase ID: 811906
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: N(C)c1cccc2cc[nH]c12
• Canonical SMILES: CNc1cccc2c1[nH]cc2
• InChI: InChI=1S/C9H10N2/c1-10-8-4-2-3-7-5-6-11-9(7)8/h2-6,10-11H,1H3
• InChIKey: LYOYVUJDZOTVSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1H-indol-7-amine
• IUPAC Traditional name: N-methyl-1H-indol-7-amine
• Synonyms: 1H-INDOL-7-YL-METHYLAMINE

Database IDs

• CAS Number: 408356-52-5

CALCULATED PROPERTIES

• Acid pKa: 17.16722
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 1.4052523
• LogD (pH = 7.4): 1.5427171
• Log P: 1.544786
• Molar Refractivity: 47.3383 cm^3
• Polarizability: 18.594982 Å^3
• Polar Surface Area: 27.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%