dimethyl[2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 138159
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: CN(C)CCN1CCOCC1
• Canonical SMILES: CN(CCN1CCOCC1)C
• InChI: InChI=1S/C8H18N2O/c1-9(2)3-4-10-5-7-11-8-6-10/h3-8H2,1-2H3
• InChIKey: PMHXGHYANBXRSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: dimethyl[2-(morpholin-4-yl)ethyl]amine
• Synonyms: 4-[2-(Dimethylamino)ethyl]morpholine; 4-[2-(二甲氨基)乙基]吗啉

Database IDs

• CAS Number: 4385-05-1
• EC Number: 224-492-3
• MDL Number: MFCD00010432
• PubChem SID: 162232417
• PubChem CID: 78091

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.2803307
• LogD (pH = 7.4): -1.7329448
• Log P: -0.0096864635
• Molar Refractivity: 47.0817 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 93-94 °C/20 mmHg(lit.)
• Flash Point: 168.8 °F; 76 °C
• Density: 0.925 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4582(lit.)
• Vapor Pressure: 3 mmHg ( 20 °C)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-37/39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C8H18N2O

DETAILS

Sigma Aldrich - 278432

Packaging
100 g in glass bottle