5-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 262482
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12c(ccc(c1)C)C(CC2)N.Cl
• Canonical SMILES: Cc1ccc2c(c1)CCC2N.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-7-2-4-9-8(6-7)3-5-10(9)11;/h2,4,6,10H,3,5,11H2,1H3;1H
• InChIKey: QRNAPASFAPDYJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12761517
• PubChem SID: 164318392
• PubChem CID: 45792088

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85300034
• LogD (pH = 7.4): -0.144824
• Log P: 2.1566598
• Molar Refractivity: 47.1534 cm^3
• Polarizability: 18.37911 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): 2.007

Product Information

• Purity: 95%