(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808627
• Molecular Formular: C9H10BrN
• Molecular Mass: 212.0864
• Monoisotopic Mass: 210.99966133
• SMILES: N[C@H]1CCc2ccc(cc12)Br
• Canonical SMILES: Brc1ccc2c(c1)[C@@H](N)CC2
• InChI: InChI=1S/C9H10BrN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4,11H2/t9-/m0/s1
• InChIKey: DUPHONQIBOZOHL-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine
• Synonyms: (1S)-6-BROMOINDANYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.58979803
• LogD (pH = 7.4): 0.21831998
• Log P: 2.4119911
• Molar Refractivity: 49.735 cm^3
• Polarizability: 19.294024 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%