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

• ChemBase ID: 808612
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: C1[C@@H](c2cc(ccc2C1)Cl)N
• Canonical SMILES: Clc1ccc2c(c1)[C@@H](N)CC2
• InChI: InChI=1S/C9H10ClN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4,11H2/t9-/m0/s1
• InChIKey: RDDLLTZZPGSGPO-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-6-chloro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-6-chloro-2,3-dihydro-1H-inden-1-amine
• Synonyms: (1S)-6-CHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7522663
• LogD (pH = 7.4): 0.08021529
• Log P: 2.2472832
• Molar Refractivity: 46.917 cm^3
• Polarizability: 18.425169 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%