1-(morpholin-4-yl)propan-1-one

• ChemBase ID: 141668
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: CCC(=O)N1CCOCC1
• Canonical SMILES: CCC(=O)N1CCOCC1
• InChI: InChI=1S/C7H13NO2/c1-2-7(9)8-3-5-10-6-4-8/h2-6H2,1H3
• InChIKey: DLEWDCPFCNLJEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)propan-1-one
• IUPAC Traditional name: 1-(morpholin-4-yl)propan-1-one
• Synonyms: 1-Morpholino-1-propanone; 4-(1-Oxopropyl)morpholine; 4-Propionylmorpholine; N-Propanoylmorpholine; 1-(4-Morpholinyl)-1-propanone; 1-吗啉-1-丙酮; 4-(1-氧代丙基)吗啉; 4-丙酰吗啉; N-丙酰吗啉; 1-(4-吗啉基)-1-丙酮

Database IDs

• CAS Number: 30668-14-5
• MDL Number: MFCD03208781
• PubChem SID: 162235902
• PubChem CID: 225447

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.1009012
• LogD (pH = 7.4): -0.10090081
• Log P: -0.1009008
• Molar Refractivity: 37.9607 cm^3
• Polarizability: 14.820513 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-75 °C/0.5 mmHg
• Flash Point: >110 °C; >230 °F
• Density: 1.068 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H13NO2

DETAILS

Sigma Aldrich - 701467

Packaging
5, 25 g in glass bottle