1-(oxan-2-yl)ethan-1-amine

• ChemBase ID: 247741
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: O1C(C(N)C)CCCC1
• Canonical SMILES: CC(C1CCCCO1)N
• InChI: InChI=1S/C7H15NO/c1-6(8)7-4-2-3-5-9-7/h6-7H,2-5,8H2,1H3
• InChIKey: ZAZPZBYFJCQFDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19210581
• PubChem SID: 164303651
• PubChem CID: 21843651

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3517702
• LogD (pH = 7.4): -1.5945462
• Log P: 0.65427387
• Molar Refractivity: 37.1933 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): 0.653

Product Information

• Purity: 95%