hydrogen 2,3-dihydro-1H-inden-1-amine chloride

• ChemBase ID: 293639
• Molecular Formular: C9H11ClN-
• Molecular Mass: 168.64334
• Monoisotopic Mass: 168.05800204
• SMILES: c1c2C(N)CCc2ccc1.[Cl-]
• Canonical SMILES: NC1CCc2c1cccc2.[Cl-]
• InChI: InChI=1S/C9H11N.ClH/c10-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H/p-1
• InChIKey: RHAAGWRBIVCBSY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 2,3-dihydro-1H-inden-1-amine chloride
• IUPAC Traditional name: hydrogen indanamin chloride
• Synonyms: 1-Aminoindane hydrochloride

Database IDs

• CAS Number: 70146-15-5
• MDL Number: MFCD00054294
• PubChem SID: 180679170
• PubChem CID: 44828730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3644532
• LogD (pH = 7.4): -0.62883526
• Log P: 1.6432385
• Molar Refractivity: 42.1122 cm^3
• Polarizability: 16.613792 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%