1-(2,3-dihydro-1H-inden-5-yl)ethan-1-amine hydrochloride

• ChemBase ID: 262740
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c1c(ccc2c1CCC2)C(N)C.Cl
• Canonical SMILES: CC(c1ccc2c(c1)CCC2)N.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8(12)10-6-5-9-3-2-4-11(9)7-10;/h5-8H,2-4,12H2,1H3;1H
• InChIKey: URNAUSYFPYPCSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-5-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-5-yl)ethanamine hydrochloride
• Synonyms: 1-(2,3-dihydro-1H-inden-5-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD13195868
• PubChem SID: 164318650
• PubChem CID: 45792145

CALCULATED PROPERTIES

• Log P: 2.523275
• Molar Refractivity: 51.8314 cm^3
• Polarizability: 20.224909 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.48672777
• LogD (pH = 7.4): 0.21647772

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.416

Product Information

• Purity: 95%