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

• ChemBase ID: 69549
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: C1(CCc2ccccc12)N.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
• InChIKey: RHAAGWRBIVCBSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: indanamin hydrochloride
• Synonyms: 2,3-Dihydro-1H-inden-1-amine hydrochloride; Indan-1-amine hydrochloride; 1-Aminoindane hydrochloride 98%; 1-Aminoindane hydrochloride; 2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• CAS Number: 70146-15-5; 34698-41-4
• MDL Number: MFCD00054294
• PubChem SID: 162035275
• PubChem CID: 2794441

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

Physical Property

• Melting Point: 206-210°C; 215 - 217°C
• Hydrophobicity(logP): 1.508

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%