2,6-dimethylmorpholine

• ChemBase ID: 108098
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: CC1CNCC(C)O1
• Canonical SMILES: CC1CNCC(O1)C
• InChI: InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3
• InChIKey: HNVIQLPOGUDBSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylmorpholine
• IUPAC Traditional name: morpholine, 2,6-dimethyl-
• Synonyms: 2,6-Dimethylmorpholine; 2,6-Dimethylmorpholine, cis + trans; 2,6-DIMETHYLMORPHOLINE; 2,6-二甲基吗啉; 2,6-二甲基吗啉 顺式 + 反式

Database IDs

• CAS Number: 141-91-3
• EC Number: 205-509-3
• MDL Number: MFCD00005973
• Beilstein Number: 103036
• PubChem SID: 24847731; 162095070
• PubChem CID: 110862

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(lit.); -85°C
• Boiling Point: 147 °C(lit.); 147°C
• Flash Point: 118.4 °F; 48 °C; 48°C(120°F)
• Density: 0.935; 0.935 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.446(lit.)

Safety Information

• RTECS: QE1750000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1992; UN1992
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-21-41; R:27
• Safety Statements: 16-26-36/37/39-45; 23-26-36/37/39; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H311-H318; H318-H226-H312
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P403+P235-P501A; P280-P305 + P351 + P338-P312
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1992 3/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C6H13NO

DETAILS

MP Biomedicals - 05206077

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 126527

Packaging
25, 100 g in glass bottle