2-(ethenyloxy)ethan-1-amine

• ChemBase ID: 156149
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: C=COCCN
• Canonical SMILES: NCCOC=C
• InChI: InChI=1S/C4H9NO/c1-2-6-4-3-5/h2H,1,3-5H2
• InChIKey: CEYHHQSTMVVZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethenyloxy)ethan-1-amine
• IUPAC Traditional name: 2-(ethenyloxy)ethanamine
• Synonyms: 2-(Vinyloxy)ethylamine; 2-Aminoethyl vinyl ether; 2-(vinyloxy)ethanamine; 2-(乙烯氧基)乙胺; 2-氨基乙基乙烯基醚

Database IDs

• CAS Number: 7336-29-0
• MDL Number: MFCD01862888
• Beilstein Number: 1739292
• PubChem SID: 162250287
• PubChem CID: 5222844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.149159
• LogD (pH = 7.4): -2.1613035
• Log P: -0.16775997
• Molar Refractivity: 24.6545 cm^3
• Polarizability: 10.074169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113-116 °C(lit.)
• Flash Point: 29 °C; 84 °F
• Density: 0.908 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.440

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-34-36/37
• Safety Statements: 16-26-33-36

Product Information

• Purity: ~90% (GC)
• Grade: technical
• Linear Formula: CH2=CHOCH2CH2NH2