(1S)-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 160207
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: Cl.c1ccc2c(c1)CC[C@@H]2N
• Canonical SMILES: N[C@H]1CCc2c1cccc2.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/t9-;/m0./s1
• InChIKey: RHAAGWRBIVCBSY-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: (1S)-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: (1S)-2,3-Dihydro-1H-inden-1-amine; (S)-(+)-1-Indanamine; (S)-1-Aminoindan; (S)-1-Indanylamine; (S)-2,3-Dihydro-1-Indenamine; (S)-2,3-Dihydro-1H-inden-1-amine S-(+)-1-Aminoindane; [(1S)-2,3-Dihydro-1H-inden-1-yl]amine; (S)-1-Aminoindane; (S)-2,3-Dihydro-1H-inden-1-amine hydrochloride

Database IDs

• CAS Number: 32457-23-1; 61341-86-4
• MDL Number: MFCD16661198
• PubChem SID: 162254342
• PubChem CID: 53350321

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

• Solubility: DMSO; Methanol
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - A611716

(S)-1-Aminoindane is the S-enantiomer of 1-Aminoindane; the metabolite of the monoamine oxidase-B inhibitor Rasagiline (R126000).

REFERENCES

• Glezer, S. et al.: Eur. J. Pharmacol., 472, 173 (2003)