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

• ChemBase ID: 238045
• Molecular Formular: C13H18ClN
• Molecular Mass: 223.74172
• Monoisotopic Mass: 223.11277726
• SMILES: C12(CC1CN)c1c(CCC2)cccc1.Cl
• Canonical SMILES: NCC1CC21CCCc1c2cccc1.Cl
• InChI: InChI=1S/C13H17N.ClH/c14-9-11-8-13(11)7-3-5-10-4-1-2-6-12(10)13;/h1-2,4,6,11H,3,5,7-9,14H2;1H
• InChIKey: FWLGQLCWMUQGPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22375334
• PubChem SID: 164293955
• PubChem CID: 71756072

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.64965135
• LogD (pH = 7.4): -0.12525691
• Log P: 2.3702528
• Molar Refractivity: 58.8195 cm^3
• Polarizability: 23.178356 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 247 - 249°C
• Hydrophobicity(logP): 2.66

Product Information

• Purity: 95%