4-(pyridin-4-yl)morpholine

• ChemBase ID: 139403
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1cnccc1N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C9H12N2O/c1-3-10-4-2-9(1)11-5-7-12-8-6-11/h1-4H,5-8H2
• InChIKey: QJWQYVJVCXMTJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-4-yl)morpholine
• IUPAC Traditional name: 4-(pyridin-4-yl)morpholine
• Synonyms: 4-Morpholinopyridine; 4-(Pyridin-4-yl)Morpholine; 4-吗啉基吡啶

Database IDs

• CAS Number: 2767-91-1
• MDL Number: MFCD00704054
• PubChem SID: 162233651; 24871704
• PubChem CID: 4145413

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3377142
• LogD (pH = 7.4): -0.18443364
• Log P: 0.6451168
• Molar Refractivity: 47.4042 cm^3
• Polarizability: 17.892628 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102-108 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C9H12N2O

DETAILS

Sigma Aldrich - 480657

Packaging
5 g in glass bottle