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

• ChemBase ID: 814354
• Molecular Formular: C9H10ClN
• Molecular Mass: 167.6354
• Monoisotopic Mass: 167.05017701
• SMILES: C1(Cc2ccc(cc2C1)Cl)N
• Canonical SMILES: NC1Cc2c(C1)cc(cc2)Cl
• InChI: InChI=1S/C9H10ClN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
• InChIKey: KBMVAIAEDLKXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 5-chloro-2,3-dihydro-1H-inden-2-amine
• Synonyms: 5-chloro-2,3-dihydro-1H-inden-2-amine

Database IDs

• CAS Number: 73536-83-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9248848
• LogD (pH = 7.4): -0.32529807
• Log P: 2.0913758
• Molar Refractivity: 47.071 cm^3
• Polarizability: 18.349594 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%