(2-methoxyethyl)(methyl)amine

• ChemBase ID: 15428
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: N(CCOC)C
• Canonical SMILES: CNCCOC
• InChI: InChI=1S/C4H11NO/c1-5-3-4-6-2/h5H,3-4H2,1-2H3
• InChIKey: KOHBEDRJXKOYHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(methyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(methyl)amine
• Synonyms: 2-Methoxy-N-methyl-1-ethanamine; (2-methoxyethyl)(methyl)amine; (2-Methoxyethyl)methylamine; (2-甲氧基乙基)甲胺

Database IDs

• CAS Number: 38256-93-8
• MDL Number: MFCD00144829
• PubChem SID: 160978735
• PubChem CID: 300977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.435064
• LogD (pH = 7.4): -2.482124
• Log P: -0.23985398
• Molar Refractivity: 25.7369 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °C; 33.8 °F
• Density: 0.; 0.820 g/mL at 25 °C
• Refractive Index: n20/D 1.401
• Hydrophobicity(logP): -0.368

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-37/38-41-43
• Safety Statements: 26-36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H315-H317-H318-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 95%; 97%
• Empirical Formula (Hill Notation): C4H11NO

DETAILS

Sigma Aldrich - 708917

Packaging
5 g in glass bottle