2-(but-3-en-1-yloxy)ethan-1-amine

• ChemBase ID: 243724
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C(=C)CCOCCN
• Canonical SMILES: NCCOCCC=C
• InChI: InChI=1S/C6H13NO/c1-2-3-5-8-6-4-7/h2H,1,3-7H2
• InChIKey: SUTJRBJJAHYZQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(but-3-en-1-yloxy)ethan-1-amine
• IUPAC Traditional name: 2-(but-3-en-1-yloxy)ethanamine
• Synonyms: 2-(but-3-en-1-yloxy)ethan-1-amine

Database IDs

• MDL Number: MFCD06246032
• PubChem SID: 164299634
• PubChem CID: 62443041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6356332
• LogD (pH = 7.4): -1.659987
• Log P: 0.34747666
• Molar Refractivity: 34.88 cm^3
• Polarizability: 13.762245 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.431

Product Information

• Purity: 95%