2,3-dihydro-1H-inden-5-ylmethanamine hydrochloride

• ChemBase ID: 258351
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12c(ccc(c1)CN)CCC2.Cl
• Canonical SMILES: NCc1ccc2c(c1)CCC2.Cl
• InChI: InChI=1S/C10H13N.ClH/c11-7-8-4-5-9-2-1-3-10(9)6-8;/h4-6H,1-3,7,11H2;1H
• InChIKey: DQRLVXOHCPCRMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-5-ylmethanamine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1H-inden-5-ylmethanamine hydrochloride
• Synonyms: 2,3-dihydro-1H-inden-5-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD11813965
• PubChem SID: 164314261
• PubChem CID: 23103264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.88825697
• LogD (pH = 7.4): -0.010122556
• Log P: 2.1066997
• Molar Refractivity: 47.4126 cm^3
• Polarizability: 18.37834 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.107

Product Information

• Purity: 95%