4-ethyloxan-4-amine hydrochloride

• ChemBase ID: 244703
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: C1(N)(CCOCC1)CC.Cl
• Canonical SMILES: CCC1(N)CCOCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-2-7(8)3-5-9-6-4-7;/h2-6,8H2,1H3;1H
• InChIKey: XAYXHPWEBURGOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyloxan-4-amine hydrochloride
• IUPAC Traditional name: 4-ethyloxan-4-amine hydrochloride
• Synonyms: 4-ethyloxan-4-amine hydrochloride

Database IDs

• MDL Number: MFCD22418725
• PubChem SID: 164300613
• PubChem CID: 71757570

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.890662
• LogD (pH = 7.4): -2.6725838
• Log P: 0.1388263
• Molar Refractivity: 37.5565 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.016

Product Information

• Purity: 95%