4-(2-nitrophenyl)morpholine

• ChemBase ID: 88553
• Molecular Formular: C10H12N2O3
• Molecular Mass: 208.21388
• Monoisotopic Mass: 208.08479225
• SMILES: N1(c2c(cccc2)[N+](=O)[O-])CCOCC1
• Canonical SMILES: [O-][N+](=O)c1ccccc1N1CCOCC1
• InChI: InChI=1S/C10H12N2O3/c13-12(14)10-4-2-1-3-9(10)11-5-7-15-8-6-11/h1-4H,5-8H2
• InChIKey: WABXKOMDIQWGKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-nitrophenyl)morpholine
• IUPAC Traditional name: 4-(2-nitrophenyl)morpholine
• Synonyms: 4-MORPHOLINO NITRO BENZENE; 2-(Morpholin-4-yl)nitrobenzene; 4-(2-Nitrophenyl)morpholine

Database IDs

• CAS Number: 5320-98-9
• PubChem SID: 162075485
• PubChem CID: 96365

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: 56.8858 cm^3
• Polarizability: 20.699759 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon

DETAILS

MP Biomedicals - 05223052

MP Biomedicals Rare Chemical collection