ethylurea

• ChemBase ID: 88819
• Molecular Formular: C3H8N2O
• Molecular Mass: 88.10842
• Monoisotopic Mass: 88.06366289
• SMILES: NC(=O)NCC
• Canonical SMILES: CCNC(=O)N
• InChI: InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
• InChIKey: RYECOJGRJDOGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethylurea
• IUPAC Traditional name: ethylurea
• Synonyms: 1-Ethylurea; N-Ethylurea; ETHYLUREA (MONO); Ethylurea; N-乙基脲; 乙基尿素

Database IDs

• CAS Number: 625-52-5
• EC Number: 210-898-8
• MDL Number: MFCD00007953
• Beilstein Number: 1740512
• PubChem SID: 162075723; 24894600; 24845628
• PubChem CID: 12254

CALCULATED PROPERTIES

• Acid pKa: 15.74978
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.7833499
• LogD (pH = 7.4): -0.7833499
• Log P: -0.7833498
• Molar Refractivity: 22.7879 cm^3
• Polarizability: 8.642821 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless
• Melting Point: 87-90 °C; 87-90 °C(lit.); 87-90°C; 88-94°C
• Flash Point: 199.4 °F; 93 °C; 93.4°C

Safety Information

• Storage Warning: Irritant
• RTECS: YT2335000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (N); 97%; 98%
• Grade: purum
• Linear Formula: C2H5NHCONH2

DETAILS

MP Biomedicals - 05214889

MP Biomedicals Rare Chemical collection

Sigma Aldrich - E51007

Packaging
25, 100 g in poly bottle