(1S)-5-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 289083
• Molecular Formular: C9H11BrClN
• Molecular Mass: 248.54734
• Monoisotopic Mass: 246.97633904
• SMILES: N[C@H]1CCc2c1ccc(Br)c2.Cl
• Canonical SMILES: Brc1ccc2c(c1)CC[C@@H]2N.Cl
• InChI: InChI=1S/C9H10BrN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H/t9-;/m0./s1
• InChIKey: GLGQSSHHFWJLAI-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-5-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: (1S)-5-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: (S)-5-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• CAS Number: 916210-93-0
• MDL Number: MFCD21603637
• PubChem SID: 180674614
• PubChem CID: 57355775

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5929476
• LogD (pH = 7.4): 0.17813845
• Log P: 2.4119911
• Molar Refractivity: 49.735 cm^3
• Polarizability: 19.294127 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%