6-oxaspiro[2.5]octan-1-ylmethanamine hydrochloride

• ChemBase ID: 237428
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: C12(CC1CN)CCOCC2.Cl
• Canonical SMILES: NCC1CC21CCOCC2.Cl
• InChI: InChI=1S/C8H15NO.ClH/c9-6-7-5-8(7)1-3-10-4-2-8;/h7H,1-6,9H2;1H
• InChIKey: LHRSRLVOTTYGKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxaspiro[2.5]octan-1-ylmethanamine hydrochloride
• IUPAC Traditional name: 6-oxaspiro[2.5]octan-1-ylmethanamine hydrochloride
• Synonyms: 6-oxaspiro[2.5]octan-1-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD22369951
• PubChem SID: 164293338
• PubChem CID: 71755933

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.104269
• LogD (pH = 7.4): -2.6830127
• Log P: -0.080331706
• Molar Refractivity: 40.4338 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.099

Product Information

• Purity: 95%