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

• ChemBase ID: 808610
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: NC1CCc2ccc(cc12)Cl
• Canonical SMILES: Clc1ccc2c(c1)C(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
• InChIKey: RDDLLTZZPGSGPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 6-chloro-2,3-dihydro-1H-inden-1-amine
• Synonyms: 6-CHLORO-INDAN-1-YLAMINE

Database IDs

• CAS Number: 67120-38-1

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%