(1-methyl-1H-indol-6-yl)methanamine

• ChemBase ID: 92209
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: n1(ccc2c1cc(cc2)CN)C
• Canonical SMILES: NCc1ccc2c(c1)n(C)cc2
• InChI: InChI=1S/C10H12N2/c1-12-5-4-9-3-2-8(7-11)6-10(9)12/h2-6H,7,11H2,1H3
• InChIKey: MVVXKNQNGUHIDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indol-6-yl)methanamine
• IUPAC Traditional name: (1-methylindol-6-yl)methanamine
• Synonyms: (1-methyl-1H-indol-6-yl)methylamine; (1-Methyl-1H-indol-6-yl)methylamine; 6-(Aminomethyl)-1-methyl-1H-indole 97%

Database IDs

• CAS Number: 864264-03-9
• MDL Number: MFCD08690253
• PubChem SID: 162078907
• PubChem CID: 18525768

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5568674
• LogD (pH = 7.4): -0.5480023
• Log P: 1.4214523
• Molar Refractivity: 50.5146 cm^3
• Polarizability: 20.76622 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45.5-47.5°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%