2,3-dihydro-1H-indol-6-amine

• ChemBase ID: 58758
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: c1(ccc2c(c1)NCC2)N
• Canonical SMILES: Nc1ccc2c(c1)NCC2
• InChI: InChI=1S/C8H10N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4,9H2
• InChIKey: UMXPKGQJQAQXLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indol-6-amine
• IUPAC Traditional name: 2,3-dihydro-1H-indol-6-amine
• Synonyms: Indolin-6-amine

Database IDs

• CAS Number: 28228-73-1
• MDL Number: MFCD11590551
• PubChem SID: 162063521
• PubChem CID: 34185

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.42308325
• LogD (pH = 7.4): 0.65311843
• Log P: 0.6569865
• Molar Refractivity: 44.2618 cm^3
• Polarizability: 15.487385 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false