bis[2-(ethenyloxy)ethyl]amine

• ChemBase ID: 12679
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: N(CCOC=C)CCOC=C
• Canonical SMILES: C=COCCNCCOC=C
• InChI: InChI=1S/C8H15NO2/c1-3-10-7-5-9-6-8-11-4-2/h3-4,9H,1-2,5-8H2
• InChIKey: XYZOZJCEKYPOHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[2-(ethenyloxy)ethyl]amine
• IUPAC Traditional name: bis[2-(ethenyloxy)ethyl]amine
• Synonyms: Bis-(2-vinyloxy-ethyl)-amine

Database IDs

• CAS Number: 13985-50-7
• MDL Number: MFCD01822969
• PubChem SID: 160975986
• PubChem CID: 241265

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3685832
• LogD (pH = 7.4): -0.9957365
• Log P: 0.72251934
• Molar Refractivity: 44.1648 cm^3
• Polarizability: 17.891617 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false