(2-hydroxyethyl)urea

• ChemBase ID: 78032
• Molecular Formular: C3H8N2O2
• Molecular Mass: 104.10782
• Monoisotopic Mass: 104.05857751
• SMILES: N(C(=O)N)CCO
• Canonical SMILES: NC(=O)NCCO
• InChI: InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)
• InChIKey: CLAHOZSYMRNIPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydroxyethyl)urea
• IUPAC Traditional name: 2-hydroxyethylurea
• Synonyms: (2-Hydroxyethyl)urea; 1-(2-Hydroxyethyl)urea; (2-羟乙基)脲

Database IDs

• CAS Number: 2078-71-9
• MDL Number: MFCD00059080
• PubChem SID: 24879427; 162042867
• PubChem CID: 73984

CALCULATED PROPERTIES

• Acid pKa: 15.053198
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.8302598
• LogD (pH = 7.4): -1.8302598
• Log P: -1.8302598
• Molar Refractivity: 24.3316 cm^3
• Polarizability: 9.338311 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-169 °C(lit.); 164-169°C
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant
• RTECS: YT4907000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Linear Formula: HOCH2CH2NHC(O)NH2

DETAILS

Sigma Aldrich - 554693

Packaging
25 g in glass bottle