methyl 2-(morpholin-4-yl)acetate

• ChemBase ID: 174002
• Molecular Formular: C7H13NO3
• Molecular Mass: 159.18302
• Monoisotopic Mass: 159.08954328
• SMILES: C1COCCN1CC(=O)OC
• Canonical SMILES: COC(=O)CN1CCOCC1
• InChI: InChI=1S/C7H13NO3/c1-10-7(9)6-8-2-4-11-5-3-8/h2-6H2,1H3
• InChIKey: LTMOFXOWXXOMEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(morpholin-4-yl)acetate
• IUPAC Traditional name: methyl 2-(morpholin-4-yl)acetate
• Synonyms: 4-Morpholineacetic Acid Methyl Ester; Methyl 2-(Morpholin-4-yl)acetate; Methyl Morpholinoacetate; Morpholin-4-ylacetic Acid Methyl Ester; Methyl Morpholinoacetate; Methyl 4-morpholineacetate; Morpholine-3-acetic acid methyl ester; 4-吗啉基乙酸甲酯

Database IDs

• CAS Number: 885273-89-2; 35855-10-8
• MDL Number: MFCD00216973
• PubChem SID: 164229912
• PubChem CID: 1268178

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5060515
• LogD (pH = 7.4): -0.40589237
• Log P: -0.40445364
• Molar Refractivity: 39.9163 cm^3
• Polarizability: 15.927211 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear Colourless to Yellow Liquid
• Refractive Index: 1.4585

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: 97%; 99%