methyl[(1-methyl-1H-indol-7-yl)methyl]amine

• ChemBase ID: 87372
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1(ccc2c1c(ccc2)CNC)C
• Canonical SMILES: CNCc1cccc2c1n(C)cc2
• InChI: InChI=1S/C11H14N2/c1-12-8-10-5-3-4-9-6-7-13(2)11(9)10/h3-7,12H,8H2,1-2H3
• InChIKey: JERMRTDADLXHSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-indol-7-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylindol-7-yl)methyl]amine
• Synonyms: N-Methyl-1-(1-methyl-1H-indol-7-yl)methylamine; 1-Methyl-7-[(methylamino)methyl]-1H-indole 90%; N-methyl-(1-methyl-1H-indol-7-yl)methylamine

Database IDs

• CAS Number: 709649-75-2
• MDL Number: MFCD11506353
• PubChem SID: 162074475
• PubChem CID: 33589520

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3497156
• LogD (pH = 7.4): -0.4695524
• Log P: 1.8540328
• Molar Refractivity: 55.2892 cm^3
• Polarizability: 22.613459 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Light Sensitive/Store under Argon/Keep Cold

Product Information

• Purity: 90%