N-ethyloxan-4-amine hydrochloride

• ChemBase ID: 37141
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: O1CCC(NCC)CC1.Cl
• Canonical SMILES: CCNC1CCOCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-2-8-7-3-5-9-6-4-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: WHAUERBFDJYWDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyloxan-4-amine hydrochloride
• IUPAC Traditional name: N-ethyloxan-4-amine hydrochloride
• Synonyms: N-Ethyltetrahydro-2H-pyran-4-amine hydrochloride

Database IDs

• MDL Number: MFCD10568363
• PubChem SID: 161000448
• PubChem CID: 44120483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1087854
• LogD (pH = 7.4): -2.7193186
• Log P: 0.12511557
• Molar Refractivity: 37.9175 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false