N-(2-hydroxyethyl)acetamide

• ChemBase ID: 107062
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: CC(=O)NCCO
• Canonical SMILES: CC(=O)NCCO
• InChI: InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
• InChIKey: PVCJKHHOXFKFRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)acetamide
• IUPAC Traditional name: acetamide, N-(2-hydroxyethyl)-
• Synonyms: N-ACETYLETHANOLAMINE PRACTICAL GRADE; 2-Acetamidoethanol; N-(2-Hydroxyethyl)acetamide; N-(2-Hydroxyethyl)acetamide; N-Acetylethanolamine; N-乙酰基乙醇胺; N-(2-羟基乙基)乙酰胺; N-乙酰乙醇胺

Database IDs

• CAS Number: 142-26-7
• EC Number: 205-530-8
• MDL Number: MFCD00002836
• PubChem SID: 162094264; 24846527
• PubChem CID: 8880

CALCULATED PROPERTIES

• Acid pKa: 15.396288
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4967144
• LogD (pH = 7.4): -1.4967142
• Log P: -1.4967142
• Molar Refractivity: 25.6549 cm^3
• Polarizability: 9.982835 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16°C
• Boiling Point: 151-155 °C/5 mmHg(lit.); 151-155°C/5mm
• Flash Point: 177 °C; 177°C(351°F); 350.6 °F
• Density: 1.12 g/ml; 1.12 g/mL at 25 °C(lit.); 1.120
• Refractive Index: 1.4720; n20/D 1.472(lit.)

Safety Information

• RTECS: AC3120000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 37/38-41; 41; R:36
• Safety Statements: 26-36; 26-39-60; S:26
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318-H335; H318
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280-P305+P351+P338-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 90+%; 95+%
• Grade: PRACTICAL; technical grade
• Linear Formula: CH3CONHCH2CH2OH

DETAILS

MP Biomedicals - 05202408

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 100455

Packaging
25, 500 g in glass bottle