ethenyltrimethylazanium oxidanide

• ChemBase ID: 128582
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C=C[N+](C)(C)C.[OH-]
• Canonical SMILES: C=C[N+](C)(C)C.[OH-]
• InChI: InChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1
• InChIKey: NIPLIJLVGZCKMP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyltrimethylazanium oxidanide
• IUPAC Traditional name: ethenyltrimethylazanium oxidanide
• Synonyms: Vitaloid; N,N,N-Trimethylethenaminium hydroxide; Neurine

Database IDs

• CAS Number: 463-88-7
• PubChem SID: 162222889
• PubChem CID: 10042
• Wikipedia Title: Neurine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.4674928
• LogD (pH = 7.4): -3.4674928
• Log P: -3.4674928
• Molar Refractivity: 39.5939 cm^3
• Polarizability: 11.186158 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Syrupy liquid