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

• ChemBase ID: 71406
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: Cl.c1ccc2c(c1)CC(C2)CC(N)(C)C
• Canonical SMILES: CC(CC1Cc2c(C1)cccc2)(N)C.Cl
• InChI: InChI=1S/C13H19N.ClH/c1-13(2,14)9-10-7-11-5-3-4-6-12(11)8-10;/h3-6,10H,7-9,14H2,1-2H3;1H
• InChIKey: WBROBVXHCOSKDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride
• Synonyms: 1-(2,3-Dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22383947
• PubChem SID: 162036996
• PubChem CID: 71299226

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.16376178
• LogD (pH = 7.4): 0.03586571
• Log P: 2.8661103
• Molar Refractivity: 60.732 cm^3
• Polarizability: 23.924145 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%