(1S)-5,6-dichloro-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 808621
• Molecular Formular: C9H9Cl2N
• Molecular Mass: 202.08046
• Monoisotopic Mass: 201.01120465
• SMILES: N[C@H]1CCc2cc(c(cc12)Cl)Cl
• Canonical SMILES: N[C@H]1CCc2c1cc(Cl)c(c2)Cl
• InChI: InChI=1S/C9H9Cl2N/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4,9H,1-2,12H2/t9-/m0/s1
• InChIKey: XWCCMCNCBDSVFJ-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-5,6-dichloro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-5,6-dichloro-2,3-dihydro-1H-inden-1-amine
• Synonyms: (1S)-5,6-DICHLOROINDANYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.14537148
• LogD (pH = 7.4): 0.7160671
• Log P: 2.851328
• Molar Refractivity: 51.7218 cm^3
• Polarizability: 20.336098 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%