4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)diazen-1-yl]morpholine

• ChemBase ID: 15964
• Molecular Formular: C12H15N3O3
• Molecular Mass: 249.2658
• Monoisotopic Mass: 249.11134136
• SMILES: C1CN(CCO1)/N=N/c1cc2c(cc1)OCCO2
• Canonical SMILES: O1CCN(CC1)/N=N/c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C12H15N3O3/c1-2-11-12(18-8-7-17-11)9-10(1)13-14-15-3-5-16-6-4-15/h1-2,9H,3-8H2/b14-13+
• InChIKey: HBOBHEUYWXOTDX-BUHFOSPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)diazen-1-yl]morpholine
• IUPAC Traditional name: 4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)diazen-1-yl]morpholine
• Synonyms: 4-[(3,4-Ethylenedioxyphenyl)azo]-morpholine

Database IDs

• MDL Number: MFCD06656498
• PubChem SID: 160979271
• PubChem CID: 26188723

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6614274
• LogD (pH = 7.4): 1.6614314
• Log P: 1.6614316
• Molar Refractivity: 68.828 cm^3
• Polarizability: 25.101566 Å^3
• Polar Surface Area: 55.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%