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

• ChemBase ID: 271297
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12c(CCC1N)ccc(c2)C.Cl
• Canonical SMILES: Cc1ccc2c(c1)C(N)CC2.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-7-2-3-8-4-5-10(11)9(8)6-7;/h2-3,6,10H,4-5,11H2,1H3;1H
• InChIKey: KEMDEHSGFBNQOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17977123
• PubChem SID: 164327207
• PubChem CID: 50988168

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.85291404
• LogD (pH = 7.4): -0.1434949
• Log P: 2.1566598
• Molar Refractivity: 47.1534 cm^3
• Polarizability: 18.378807 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 261 - 263°C
• Hydrophobicity(logP): 2.007

Product Information

• Purity: 95%