2-[(prop-2-en-1-yl)amino]ethan-1-ol

• ChemBase ID: 276013
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C(=C)CNCCO
• Canonical SMILES: OCCNCC=C
• InChI: InChI=1S/C5H11NO/c1-2-3-6-4-5-7/h2,6-7H,1,3-5H2
• InChIKey: JRMGZDWJZHJQCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(prop-2-en-1-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-(prop-2-en-1-ylamino)ethanol
• Synonyms: 2-(prop-2-en-1-ylamino)ethan-1-ol

Database IDs

• MDL Number: MFCD11149820
• PubChem SID: 164331923
• PubChem CID: 550668

CALCULATED PROPERTIES

• Acid pKa: 15.601665
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2628202
• LogD (pH = 7.4): -1.9386923
• Log P: -0.15173066
• Molar Refractivity: 30.1484 cm^3
• Polarizability: 11.844081 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.217

Product Information

• Purity: 95%