4-(4-nitrophenyl)morpholine

• ChemBase ID: 66489
• Molecular Formular: C10H12N2O3
• Molecular Mass: 208.21388
• Monoisotopic Mass: 208.08479225
• SMILES: N1(CCOCC1)c1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
• InChIKey: IAJDSUYFELYZCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-nitrophenyl)morpholine
• IUPAC Traditional name: morpholine, 4-(4-nitrophenyl)-
• Synonyms: 4-(4-Nitrophenyl)morpholine; 1-(4-Morpholinyl)-4-nitrobenzene; 4-(4-Nitrophenyl)morpholine; 4-(4-硝基苯基)吗啉

Database IDs

• CAS Number: 10389-51-2
• EC Number: 233-851-3
• MDL Number: MFCD00023317
• PubChem SID: 162032227
• PubChem CID: 25222

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8027734
• LogD (pH = 7.4): 1.8027734
• Log P: 1.8027734
• Molar Refractivity: 55.8816 cm^3
• Polarizability: 20.696934 Å^3
• Polar Surface Area: 55.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148-152°C

Safety Information

• Storage Warning: IRRITANT
• RTECS: QE7405000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 90%; 95+%; 97%; 98%