1-(2-hydroxyethyl)imidazolidin-2-one

• ChemBase ID: 146408
• Molecular Formular: C5H10N2O2
• Molecular Mass: 130.1451
• Monoisotopic Mass: 130.07422757
• SMILES: C1CN(C(=O)N1)CCO
• Canonical SMILES: OCCN1CCNC1=O
• InChI: InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)
• InChIKey: HBAIZGPCSAAFSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyethyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(2-hydroxyethyl)imidazolidin-2-one
• Synonyms: N-(2-Hydroxyethyl)ethyleneurea; 1-(2-Hydroxyethyl)-2-imidazolidinone; 1-(Hydroxyethyl)ethyleneurea; NSC 5775; 1-(2-Hydroxyethyl)-2-imidazolidinone solution; 1-(2-hydroxyethyl)imidazolidin-2-one; 1-(2-hydroxyethyl)-2-imidazolidinone; 1-(2-羟乙基)-2-咪唑烷酮; 1-(2-羟乙基)-2-咪唑啉酮 溶液

Database IDs

• CAS Number: 3699-54-5
• EC Number: 223-032-9
• MDL Number: MFCD00037883
• Beilstein Number: 116407
• PubChem SID: 162240605; 24863566
• PubChem CID: 77290

CALCULATED PROPERTIES

• Acid pKa: 13.978783
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.5544326
• LogD (pH = 7.4): -1.5544327
• Log P: -1.5544326
• Molar Refractivity: 32.156 cm^3
• Polarizability: 12.264143 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C; 46-51°C
• Boiling Point: 185°C/3.5mm
• Flash Point: 212°C(414°F)
• Density: 1.19 g/mL at 25 °C
• Refractive Index: n20/D 1.466
• Hydrophobicity(logP): -1.333

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H303; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P312

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Concentration: 75% in H2O
• Empirical Formula (Hill Notation): C5H10N2O2

DETAILS

Sigma Aldrich - 378658

Packaging
250 mL in glass bottle
Application
Reagent for synthesis of HIV-1 integrase inhibitors1Reactant for synthesis of: MDM2-p53 protein-protein interaction inhibitors2 Amino acid-derived heterocycles3 dopamine D-2 and serotonin 5-HT2 antagonists4