(2R,6S)-2,6-dimethylmorpholine

• ChemBase ID: 77912
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: O1[C@H](CNC[C@H]1C)C
• Canonical SMILES: C[C@@H]1CNC[C@@H](O1)C
• InChI: InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
• InChIKey: HNVIQLPOGUDBSU-OLQVQODUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-2,6-dimethylmorpholine
• Synonyms: cis-2,6-Dimethylmorpholine; cis-2,6-Dimethylmorpholine; (2R,6S)-2,6-Dimethylmorpholine; cis-2,6-Dimethylmorpholine; 顺-2,6-二甲基吗啉

Database IDs

• CAS Number: 6485-55-8
• EC Number: 229-353-0
• MDL Number: MFCD00078428
• Beilstein Number: 878182
• PubChem SID: 162042753
• PubChem CID: 641500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5269608
• LogD (pH = 7.4): -0.9484328
• Log P: 0.42177114
• Molar Refractivity: 32.6055 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -85°C; -85°C
• Boiling Point: 140-142°C/760mm; 146-147°C
• Flash Point: 41°C; 48°C(118°F)
• Density: 0.935
• Refractive Index: 1.4460
• Hydrophobicity(logP): 0.63

Safety Information

• Storage Warning: Flammable/Toxic/Harmful/Corrosive/Air Sensitive/Store under Argon
• RTECS: QE1750000
• European Hazard Symbols: X
• UN Number: UN1992
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-21-41
• Safety Statements: 23-26-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H318-H226-H312-H303
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A

Product Information

• Purity: 95%; 97%