4-(1-phenylethenyl)morpholine

• ChemBase ID: 143370
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: C=C(c1ccccc1)N1CCOCC1
• Canonical SMILES: C=C(c1ccccc1)N1CCOCC1
• InChI: InChI=1S/C12H15NO/c1-11(12-5-3-2-4-6-12)13-7-9-14-10-8-13/h2-6H,1,7-10H2
• InChIKey: DRLPQHUSIRTYBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-phenylethenyl)morpholine
• IUPAC Traditional name: 4-(1-phenylethenyl)morpholine
• Synonyms: 4-(1-Phenylvinyl)morpholine

Database IDs

• CAS Number: 7196-01-2
• MDL Number: MFCD19443629
• Beilstein Number: 640178
• PubChem SID: 162237590
• PubChem CID: 11074188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.69332516
• LogD (pH = 7.4): 1.8376113
• Log P: 1.916348
• Molar Refractivity: 58.4379 cm^3
• Polarizability: 22.320812 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38-52
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Storage Temperature: -20°C

Product Information

• Purity: ≥85% (T); ≥85.0% (GC)
• Empirical Formula (Hill Notation): C12H15NO