4-(pyridin-2-yl)morpholine

• ChemBase ID: 150950
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: c1ccnc(c1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C9H12N2O/c1-2-4-10-9(3-1)11-5-7-12-8-6-11/h1-4H,5-8H2
• InChIKey: XHPVOSNOIWGRQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(pyridin-2-yl)morpholine
• Synonyms: 2-Morpholinopyridine; 2-吗啉基吡啶

Database IDs

• CAS Number: 24255-25-2
• MDL Number: MFCD01143321
• PubChem SID: 162245109; 24881640
• PubChem CID: 10964853

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.38660598
• LogD (pH = 7.4): 1.1994902
• Log P: 1.2395743
• Molar Refractivity: 47.7177 cm^3
• Polarizability: 17.897036 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 135 °C/20 mmHg(lit.)
• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C9H12N2O

DETAILS

Sigma Aldrich - 596612

Packaging
1, 5 g in glass bottle