methyl[2-(oxan-2-yl)ethyl]amine hydrochloride

• ChemBase ID: 811177
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: Cl.N(CCC1OCCCC1)C
• Canonical SMILES: CNCCC1CCCCO1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-9-6-5-8-4-2-3-7-10-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: LLQXUCRRXKMYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(oxan-2-yl)ethyl]amine hydrochloride
• IUPAC Traditional name: methyl[2-(oxan-2-yl)ethyl]amine hydrochloride
• Synonyms: METHYL-[2-(TETRAHYDRO-PYRAN-2-YL)-ETHYL]-AMINE HCL

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4999888
• LogD (pH = 7.4): -2.008815
• Log P: 0.730239
• Molar Refractivity: 42.4145 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%