2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride

• ChemBase ID: 241013
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: C12(CC1N)c1c(CC2)cccc1.Cl
• Canonical SMILES: NC1CC21CCc1c2cccc1.Cl
• InChI: InChI=1S/C11H13N.ClH/c12-10-7-11(10)6-5-8-3-1-2-4-9(8)11;/h1-4,10H,5-7,12H2;1H
• InChIKey: XWLSPNMAUPKLTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride
• IUPAC Traditional name: 2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride
• Synonyms: 2',3'-dihydrospiro[cyclopropane-1,1'-indene]-3-amine hydrochloride

Database IDs

• MDL Number: MFCD22421801
• PubChem SID: 164296923
• PubChem CID: 71756685

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1963474
• LogD (pH = 7.4): -0.097507745
• Log P: 1.7665788
• Molar Refractivity: 49.3337 cm^3
• Polarizability: 19.483654 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): 1.862

Product Information

• Purity: 95%