2-(prop-2-en-1-yloxy)ethan-1-amine

• ChemBase ID: 248648
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C(=C)COCCN
• Canonical SMILES: NCCOCC=C
• InChI: InChI=1S/C5H11NO/c1-2-4-7-5-3-6/h2H,1,3-6H2
• InChIKey: RSHBLZQBIVURPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16736239
• PubChem SID: 164304558
• PubChem CID: 261273

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9242415
• LogD (pH = 7.4): -1.9482135
• Log P: 0.05881545
• Molar Refractivity: 30.125 cm^3
• Polarizability: 11.917778 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.102

Product Information

• Purity: 95%