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

• ChemBase ID: 15967
• Molecular Formular: C11H15N3O2
• Molecular Mass: 221.2557
• Monoisotopic Mass: 221.11642674
• SMILES: C1CN(CCO1)/N=N/c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)/N=N/N1CCOCC1
• InChI: InChI=1S/C11H15N3O2/c1-15-11-4-2-10(3-5-11)12-13-14-6-8-16-9-7-14/h2-5H,6-9H2,1H3/b13-12+
• InChIKey: SJMCKVRLENPUDX-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(4-methoxyphenyl)diazen-1-yl]morpholine
• IUPAC Traditional name: 4-[(E)-2-(4-methoxyphenyl)diazen-1-yl]morpholine
• Synonyms: 4-[(4-Methoxyphenyl)azo]-morpholine

Database IDs

• CAS Number: 51274-58-9
• MDL Number: MFCD06656501
• PubChem SID: 160979274
• PubChem CID: 15212343

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9906117
• LogD (pH = 7.4): 1.9906275
• Log P: 1.9906278
• Molar Refractivity: 64.3338 cm^3
• Polarizability: 23.278688 Å^3
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%