5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride

• ChemBase ID: 290109
• Molecular Formular: C13H20ClN
• Molecular Mass: 225.7576
• Monoisotopic Mass: 225.12842733
• SMILES: NC1Cc2c(cc(CC)c(CC)c2)C1.Cl
• Canonical SMILES: CCc1cc2CC(Cc2cc1CC)N.Cl
• InChI: InChI=1S/C13H19N.ClH/c1-3-9-5-11-7-13(14)8-12(11)6-10(9)4-2;/h5-6,13H,3-4,7-8,14H2,1-2H3;1H
• InChIKey: ZOVIYWYFBOQKIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
• IUPAC Traditional name: 5,6-diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
• Synonyms: 5,6-Diethyl-2,3-dihydro-1H-inden-2-amine hydrochloride

Database IDs

• CAS Number: 312753-53-0
• PubChem SID: 180675640
• PubChem CID: 10236126

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.38435653
• LogD (pH = 7.4): 0.92970675
• Log P: 3.4033113
• Molar Refractivity: 61.5506 cm^3
• Polarizability: 23.757061 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%