4-(5-nitropyridin-2-yl)morpholine

• ChemBase ID: 42647
• Molecular Formular: C9H11N3O3
• Molecular Mass: 209.20194
• Monoisotopic Mass: 209.08004123
• SMILES: c1(cnc(cc1)N1CCOCC1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H11N3O3/c13-12(14)8-1-2-9(10-7-8)11-3-5-15-6-4-11/h1-2,7H,3-6H2
• InChIKey: FYJXIPHXFGFEGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-nitropyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-nitropyridin-2-yl)morpholine
• Synonyms: 4-(5-Nitro-2-pyridinyl)morpholine; 4-(5-Nitro-2-pyridyl)morpholine; 2-(4-Morpholinyl)-5-nitropyridine; 4-(5-nitropyridin-2-yl)morpholine; 2-吗啉代-5-硝基吡啶

Database IDs

• CAS Number: 26820-62-2
• MDL Number: MFCD00023308
• Beilstein Number: 225480
• PubChem SID: 162047410
• PubChem CID: 96872

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1793782
• LogD (pH = 7.4): 1.1795563
• Log P: 1.1795585
• Molar Refractivity: 55.0424 cm^3
• Polarizability: 19.85226 Å^3
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112 - 114 °C; 112-114°C; 142-144°C; 143 - 145°C
• Hydrophobicity(logP): 0.939

Safety Information

• Storage Warning: IRRITANT
• RTECS: QE7450000
• 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%; 95%