4-bromo-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808622
• Molecular Formular: C9H10BrN
• Molecular Mass: 212.0864
• Monoisotopic Mass: 210.99966133
• SMILES: C1C(c2cccc(c2C1)Br)N
• Canonical SMILES: NC1CCc2c1cccc2Br
• InChI: InChI=1S/C9H10BrN/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5,11H2
• InChIKey: MVGZSXVETDUUMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 4-bromo-2,3-dihydro-1H-inden-1-amine
• Synonyms: 4-BROMO-2,3-DIHYDRO-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 903557-28-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.59025514
• LogD (pH = 7.4): 0.21269923
• Log P: 2.4119911
• Molar Refractivity: 49.735 cm^3
• Polarizability: 19.295458 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%