4-(morpholin-4-ylmethyl)morpholine

• ChemBase ID: 9720
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: N1(CN2CCOCC2)CCOCC1
• Canonical SMILES: O1CCN(CC1)CN1CCOCC1
• InChI: InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2
• InChIKey: MIFZZKZNMWTHJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-ylmethyl)morpholine
• IUPAC Traditional name: 4,4-methylenedimorpholine
• Synonyms: N,N'-Dimorpholinomethane; 4,4'-Methylenebismorpholine; 4,4'-Dimorpholinylmethane; Bis(4-morpholinyl)methane; 双(4-吗啉基)甲烷

Database IDs

• CAS Number: 5625-90-1
• MDL Number: MFCD00023369
• PubChem SID: 160973027
• PubChem CID: 21839

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5470444
• LogD (pH = 7.4): -0.12719314
• Log P: -0.11808597
• Molar Refractivity: 50.9657 cm^3
• Polarizability: 20.293 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122-124°C/12mm; 136-138°C
• Density: 1.04

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 38-41
• Safety Statements: 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H318-H315
• GHS Precautionary statements: P280B-P305+P351+P338-P337+P313

Product Information

• Purity: 98%