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

• ChemBase ID: 236602
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: C12(CC1CN)c1c(CC2)cccc1.Cl
• Canonical SMILES: NCC1CC21CCc1c2cccc1.Cl
• InChI: InChI=1S/C12H15N.ClH/c13-8-10-7-12(10)6-5-9-3-1-2-4-11(9)12;/h1-4,10H,5-8,13H2;1H
• InChIKey: OYTBNVYOJCHWJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369824
• PubChem SID: 164292512
• PubChem CID: 71755742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0942198
• LogD (pH = 7.4): -0.5698216
• Log P: 1.9256841
• Molar Refractivity: 54.2185 cm^3
• Polarizability: 21.331373 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218 - 220°C
• Hydrophobicity(logP): 2.101

Product Information

• Purity: 95%