(2,3-dihydro-1H-inden-1-yl)methanamine hydrochloride

• ChemBase ID: 811129
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: Cl.NCC1CCc2ccccc12
• Canonical SMILES: NCC1CCc2c1cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-7-9-6-5-8-3-1-2-4-10(8)9;/h1-4,9H,5-7,11H2;1H
• InChIKey: MZGYYVMXDXARHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1H-inden-1-yl)methanamine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1H-inden-1-ylmethanamine hydrochloride
• Synonyms: C-INDAN-1-YL-METHYLAMINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2081476
• LogD (pH = 7.4): -0.5121466
• Log P: 1.8023437
• Molar Refractivity: 46.997 cm^3
• Polarizability: 18.38155 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%