5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 58892
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c12c(cc(c(c1)OC)OC)CC(C2)N
• Canonical SMILES: COc1cc2CC(Cc2cc1OC)N
• InChI: InChI=1S/C11H15NO2/c1-13-10-5-7-3-9(12)4-8(7)6-11(10)14-2/h5-6,9H,3-4,12H2,1-2H3
• InChIKey: TZASGTHDRXFGHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 5,6-dimethoxy-2,3-dihydro-1H-inden-2-amine
• Synonyms: 5,6-Dimethoxy-2,3-dihydro-1H-inden-2-amine

Database IDs

• CAS Number: 83598-55-4
• MDL Number: MFCD08234972
• PubChem SID: 162063655
• PubChem CID: 11041623

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8457927
• LogD (pH = 7.4): -1.2759339
• Log P: 1.1719885
• Molar Refractivity: 55.1926 cm^3
• Polarizability: 21.526588 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 78 °C; 75-78°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: > 95%; 95+%