4-[2-(4-nitrophenoxy)ethyl]morpholine

• ChemBase ID: 41720
• Molecular Formular: C12H16N2O4
• Molecular Mass: 252.26644
• Monoisotopic Mass: 252.111007
• SMILES: C1OCCN(C1)CCOc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)OCCN1CCOCC1
• InChI: InChI=1S/C12H16N2O4/c15-14(16)11-1-3-12(4-2-11)18-10-7-13-5-8-17-9-6-13/h1-4H,5-10H2
• InChIKey: BERKHGFFGHNCSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-nitrophenoxy)ethyl]morpholine
• IUPAC Traditional name: 4-[2-(4-nitrophenoxy)ethyl]morpholine
• Synonyms: 4-[2-(4-Nitrophenoxy)ethyl]morpholine; 4-[2-(4-Nitrophenoxy)ethyl]morpholine 98%; 4-[2-(4-Nitrophenoxy)ethyl]morpholine; 4-(2-(4-Nitrophenoxy)ethyl)Morpholine; 4-[2-(4-硝基苯氧基)乙基吗啉

Database IDs

• CAS Number: 65300-53-0
• MDL Number: MFCD00434241
• PubChem SID: 162046483
• PubChem CID: 800881

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.66419685
• LogD (pH = 7.4): 1.520011
• Log P: 1.5557028
• Molar Refractivity: 65.9353 cm^3
• Polarizability: 25.444267 Å^3
• Polar Surface Area: 64.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79-80°C; 80 - 82 °C; 80-82°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 96%