2,3-dihydro-1H-inden-2-ylmethanamine hydrochloride

• ChemBase ID: 276309
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12c(CC(C1)CN)cccc2.Cl
• Canonical SMILES: NCC1Cc2c(C1)cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-7-8-5-9-3-1-2-4-10(9)6-8;/h1-4,8H,5-7,11H2;1H
• InChIKey: FBTMKYSIJBFIBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-2-ylmethanamine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1H-inden-2-ylmethanamine hydrochloride
• Synonyms: 2,3-dihydro-1H-inden-2-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD07371495
• PubChem SID: 164332219
• PubChem CID: 54594123

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2177895
• LogD (pH = 7.4): -0.6986184
• Log P: 1.8023437
• Molar Refractivity: 46.997 cm^3
• Polarizability: 18.382908 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 262 - 264°C
• Hydrophobicity(logP): 1.787

Product Information

• Purity: 95%