3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-amine hydrochloride

• ChemBase ID: 285273
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: C12(CC1N)c1c(CCC2)cccc1.Cl
• Canonical SMILES: NC1CC21CCCc1c2cccc1.Cl
• InChI: InChI=1S/C12H15N.ClH/c13-11-8-12(11)7-3-5-9-4-1-2-6-10(9)12;/h1-2,4,6,11H,3,5,7-8,13H2;1H
• InChIKey: RRZHJFNPPKWVOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-amine hydrochloride
• IUPAC Traditional name: 3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-amine hydrochloride
• Synonyms: 3',4'-dihydro-2'H-spiro[cyclopropane-1,1'-naphthalene]-3-amine hydrochloride

Database IDs

• MDL Number: MFCD21602504
• PubChem SID: 180670804
• PubChem CID: 73994671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.75186914
• LogD (pH = 7.4): 0.3465028
• Log P: 2.2111475
• Molar Refractivity: 53.9347 cm^3
• Polarizability: 21.330614 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 2.421

Product Information

• Purity: 95%