ethyl(oxan-2-ylmethyl)amine hydrochloride

• ChemBase ID: 143767
• Molecular Formular: C8H18ClNO
• Molecular Mass: 179.68762
• Monoisotopic Mass: 179.10769188
• SMILES: CCNCC1CCCCO1.Cl
• Canonical SMILES: CCNCC1CCCCO1.Cl
• InChI: InChI=1S/C8H17NO.ClH/c1-2-9-7-8-5-3-4-6-10-8;/h8-9H,2-7H2,1H3;1H
• InChIKey: ICHJPRVTYMYXKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(oxan-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: ethyl(oxan-2-ylmethyl)amine hydrochloride
• Synonyms: N-(Tetrahydro-2H-pyran-2-ylmethyl)ethanamine hydrochloride

Database IDs

• MDL Number: MFCD13031912
• PubChem SID: 162237984
• PubChem CID: 45926169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1864622
• LogD (pH = 7.4): -1.411085
• Log P: 1.0270872
• Molar Refractivity: 42.2977 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

• Empirical Formula (Hill Notation): C8H18ClNO

DETAILS

Sigma Aldrich - CBR00835

Other Notes
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Legal Information
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