4-[(E)-2-(3-fluorophenyl)diazen-1-yl]morpholine

• ChemBase ID: 15965
• Molecular Formular: C10H12FN3O
• Molecular Mass: 209.2201832
• Monoisotopic Mass: 209.09644024
• SMILES: C1CN(CCO1)/N=N/c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)/N=N/N1CCOCC1
• InChI: InChI=1S/C10H12FN3O/c11-9-2-1-3-10(8-9)12-13-14-4-6-15-7-5-14/h1-3,8H,4-7H2/b13-12+
• InChIKey: KQTXOAAJYZGRNB-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(3-fluorophenyl)diazen-1-yl]morpholine
• IUPAC Traditional name: 4-[(E)-2-(3-fluorophenyl)diazen-1-yl]morpholine
• Synonyms: 4-[(3-Fluorophenyl)azo]-morpholine

Database IDs

• MDL Number: MFCD06656499
• PubChem SID: 160979272
• PubChem CID: 26188724

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2910004
• LogD (pH = 7.4): 2.2910008
• Log P: 2.2910008
• Molar Refractivity: 58.087 cm^3
• Polarizability: 20.458342 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%