5-bromo-2,3-dihydro-1H-inden-2-amine hydrobromide

• ChemBase ID: 293458
• Molecular Formular: C9H11Br2N
• Molecular Mass: 292.99834
• Monoisotopic Mass: 290.92582336
• SMILES: NC1Cc2c(cc(Br)cc2)C1.Br
• Canonical SMILES: NC1Cc2c(C1)cc(cc2)Br.Br
• InChI: InChI=1S/C9H10BrN.BrH/c10-8-2-1-6-4-9(11)5-7(6)3-8;/h1-3,9H,4-5,11H2;1H
• InChIKey: WVNGAALXGMXZJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,3-dihydro-1H-inden-2-amine hydrobromide
• IUPAC Traditional name: 5-bromo-2,3-dihydro-1H-inden-2-amine hydrobromide
• Synonyms: 5-Bromoindan-2-ylamine hydrobromide; 5-BROMO-2,3-DIHYDRO-1H-INDEN-2-AMINE HYDROBROMIDE

Database IDs

• CAS Number: 321352-52-7
• PubChem SID: 180678989
• PubChem CID: 12192057

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7605457
• LogD (pH = 7.4): -0.1679741
• Log P: 2.2560837
• Molar Refractivity: 49.889 cm^3
• Polarizability: 19.223598 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%