4-[(E)-2-(4-methyl-2-nitrophenyl)diazen-1-yl]morpholine

• ChemBase ID: 15968
• Molecular Formular: C11H14N4O3
• Molecular Mass: 250.25386
• Monoisotopic Mass: 250.10659033
• SMILES: C1CN(CCO1)/N=N/c1ccc(cc1[N+](=O)[O-])C
• Canonical SMILES: Cc1ccc(c(c1)[N+](=O)[O-])/N=N/N1CCOCC1
• InChI: InChI=1S/C11H14N4O3/c1-9-2-3-10(11(8-9)15(16)17)12-13-14-4-6-18-7-5-14/h2-3,8H,4-7H2,1H3/b13-12+
• InChIKey: AMTBAUIHFFQYHK-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(4-methyl-2-nitrophenyl)diazen-1-yl]morpholine
• IUPAC Traditional name: 4-[(E)-2-(4-methyl-2-nitrophenyl)diazen-1-yl]morpholine
• Synonyms: 4-[(4-Methyl-2-nitrophenyl)azo]-morpholine

Database IDs

• CAS Number: 883545-66-2
• MDL Number: MFCD06656502
• PubChem SID: 160979275
• PubChem CID: 26188726

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.6017046
• LogD (pH = 7.4): 2.6017046
• Log P: 2.6017046
• Molar Refractivity: 70.2365 cm^3
• Polarizability: 24.450764 Å^3
• Polar Surface Area: 83.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%