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

• ChemBase ID: 808625
• Molecular Formular: C9H10BrN
• Molecular Mass: 212.0864
• Monoisotopic Mass: 210.99966133
• SMILES: C1C(c2cc(ccc2C1)Br)N
• Canonical SMILES: Brc1ccc2c(c1)C(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
• InChIKey: DUPHONQIBOZOHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 6-bromo-2,3-dihydro-1H-inden-1-amine
• Synonyms: 6-BROMO-2,3-DIHYDRO-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 907973-36-8

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%