4-methyl-2,3-dihydro-1H-indole hydrochloride

• ChemBase ID: 293011
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: Cc1cccc2c1CCN2.Cl
• Canonical SMILES: Cc1cccc2c1CCN2.Cl
• InChI: InChI=1S/C9H11N.ClH/c1-7-3-2-4-9-8(7)5-6-10-9;/h2-4,10H,5-6H2,1H3;1H
• InChIKey: IEIFWNWARZLMPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2,3-dihydro-1H-indole hydrochloride
• IUPAC Traditional name: 4-methyl-2,3-dihydro-1H-indole hydrochloride
• Synonyms: 4-Methylindoline hydrochloride

Database IDs

• CAS Number: 1187928-38-6
• PubChem SID: 180678542
• PubChem CID: 53350370

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9333172
• LogD (pH = 7.4): 1.9984368
• Log P: 1.9993339
• Molar Refractivity: 44.6026 cm^3
• Polarizability: 16.130907 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%