(1-methyl-1H-indol-7-yl)methanamine

• ChemBase ID: 77487
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: n1(ccc2c1c(ccc2)CN)C
• Canonical SMILES: NCc1cccc2c1n(C)cc2
• InChI: InChI=1S/C10H12N2/c1-12-6-5-8-3-2-4-9(7-11)10(8)12/h2-6H,7,11H2,1H3
• InChIKey: FXHZVBVUMCIDPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methyl-1H-indol-7-yl)methanamine
• IUPAC Traditional name: (1-methylindol-7-yl)methanamine
• Synonyms: (1-Methyl-1H-indol-7-yl)methylamine; 7-(Aminomethyl)-1-methyl-1H-indole 97%; (1-methyl-1H-indol-7-yl)methylamine

Database IDs

• CAS Number: 937795-97-6
• MDL Number: MFCD09879961
• PubChem SID: 162042359
• PubChem CID: 24229742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5759721
• LogD (pH = 7.4): -0.7216988
• Log P: 1.4214523
• Molar Refractivity: 50.5146 cm^3
• Polarizability: 20.76731 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 90%