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

• ChemBase ID: 246120
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(Cc2c(C1)cccc2)(CN)C.Cl
• Canonical SMILES: NCC1(C)Cc2c(C1)cccc2.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-11(8-12)6-9-4-2-3-5-10(9)7-11;/h2-5H,6-8,12H2,1H3;1H
• InChIKey: LVIMTGPZXFBRPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-2,3-dihydro-1H-inden-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-methyl-1,3-dihydroinden-2-yl)methanamine hydrochloride
• Synonyms: (2-methyl-2,3-dihydro-1H-inden-2-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD23144224
• PubChem SID: 164302030
• PubChem CID: 22152352

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8268253
• LogD (pH = 7.4): -0.08423781
• Log P: 2.1803446
• Molar Refractivity: 51.3951 cm^3
• Polarizability: 20.229599 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 2.306

Product Information

• Purity: 95%