4-(2-azidoethyl)morpholine

• ChemBase ID: 89417
• Molecular Formular: C6H12N4O
• Molecular Mass: 156.18568
• Monoisotopic Mass: 156.10111102
• SMILES: N1(CCN=[N+]=[N-])CCOCC1
• Canonical SMILES: [N-]=[N+]=NCCN1CCOCC1
• InChI: InChI=1S/C6H12N4O/c7-9-8-1-2-10-3-5-11-6-4-10/h1-6H2
• InChIKey: KBEOLKFODUELIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-azidoethyl)morpholine
• IUPAC Traditional name: 4-(2-azidoethyl)morpholine
• Synonyms: 2-(4-Morpholino)ethylazide; 2-Morpholin-4-ylethylazide 98%

Database IDs

• CAS Number: 660395-39-1
• MDL Number: MFCD01320909
• PubChem SID: 162076297
• PubChem CID: 2737015

CALCULATED PROPERTIES

• Acid pKa: 4.235727
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2449906
• LogD (pH = 7.4): -0.10264046
• Log P: -0.8294237
• Molar Refractivity: 41.6474 cm^3
• Polarizability: 15.57463 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74-76°C

Safety Information

• Storage Warning: Irritant