N-(2-hydroxyethyl)formamide

• ChemBase ID: 144552
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: C(CO)NC=O
• Canonical SMILES: OCCNC=O
• InChI: InChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)
• InChIKey: BAMUPQJDKBGDPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)formamide
• IUPAC Traditional name: N-(2-hydroxyethyl)formamide
• Synonyms: N-(2-Hydroxyethyl)formamide

Database IDs

• CAS Number: 693-06-1
• EC Number: 211-741-6
• MDL Number: MFCD00021040
• PubChem SID: 162238764
• PubChem CID: 69657

CALCULATED PROPERTIES

• Acid pKa: 15.419681
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5454133
• LogD (pH = 7.4): -1.545413
• Log P: -1.545413
• Molar Refractivity: 21.1644 cm^3
• Polarizability: 8.1675 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.160 g/mL at 25 °C
• Refractive Index: n20/D 1.474

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C3H7NO2

DETAILS

Sigma Aldrich - 737453

Packaging
100 mg in glass bottle