(1S)-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 815972
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: [C@@H]1(CCc2ccccc12)N
• Canonical SMILES: N[C@H]1CCc2c1cccc2
• InChI: InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2/t9-/m0/s1
• InChIKey: XJEVHMGJSYVQBQ-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-2,3-dihydro-1H-inden-1-amine
• Synonyms: (S)-(+)-1-AMINOINDAN

Database IDs

• CAS Number: 61341-86-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3644532
• LogD (pH = 7.4): -0.62883526
• Log P: 1.6432385
• Molar Refractivity: 42.1122 cm^3
• Polarizability: 16.613792 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%