2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 260391
• Molecular Formular: C10H16Cl2N2
• Molecular Mass: 235.15344
• Monoisotopic Mass: 234.06905388
• SMILES: N1(c2c(CC1)cccc2)CCN.Cl.Cl
• Canonical SMILES: NCCN1CCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C10H14N2.2ClH/c11-6-8-12-7-5-9-3-1-2-4-10(9)12;;/h1-4H,5-8,11H2;2*1H
• InChIKey: WMQJYMKHESNSME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(2,3-dihydroindol-1-yl)ethanamine dihydrochloride
• Synonyms: 2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD08062589
• PubChem SID: 164316301
• PubChem CID: 45791571

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.673983
• LogD (pH = 7.4): -0.82626426
• Log P: 1.3241944
• Molar Refractivity: 51.746 cm^3
• Polarizability: 19.5765 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225 - 227°C
• Hydrophobicity(logP): 1.816

Product Information

• Purity: 95%