2-(oxolan-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 268214
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: O1C(CCN)CCC1.Cl
• Canonical SMILES: NCCC1CCCO1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c7-4-3-6-2-1-5-8-6;/h6H,1-5,7H2;1H
• InChIKey: LPZQZDZHBNGVGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(oxolan-2-yl)ethanamine hydrochloride
• Synonyms: 2-(oxolan-2-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16622067
• PubChem SID: 164324124
• PubChem CID: 47003256

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1691601
• LogD (pH = 7.4): -2.7016103
• Log P: -0.1469101
• Molar Refractivity: 33.0389 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104 - 106°C
• Hydrophobicity(logP): 0.181

Product Information

• Purity: 95%