1,1,3,3-tetraethylurea

• ChemBase ID: 134455
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: CCN(CC)C(=O)N(CC)CC
• Canonical SMILES: CCN(C(=O)N(CC)CC)CC
• InChI: InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3
• InChIKey: UWHSPZZUAYSGTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetraethylurea
• IUPAC Traditional name: urea, tetraethyl-
• Synonyms: TEU; Tetraethylurea; 1,1,3,3-Tetraethylurea; 四乙基脲; 1,1,3,3-四乙基脲

Database IDs

• CAS Number: 1187-03-7
• EC Number: 214-696-0
• MDL Number: MFCD00042881
• Beilstein Number: 1763126
• PubChem SID: 24888751; 162228731
• PubChem CID: 14465

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.95810205
• LogD (pH = 7.4): 0.9581022
• Log P: 0.9581022
• Molar Refractivity: 51.7238 cm^3
• Polarizability: 19.64936 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 211-213 °C(lit.); 212-214°C
• Flash Point: 177.8 °F; 81 °C; 81°C(177°F)
• Density: 0.907 g/mL at 20 °C(lit.); 0.910
• Refractive Index: 1.4470; n20/D 1.447

Safety Information

• RTECS: YU2100000
• German water hazard class: 3
• TSCA Listed: 是
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0%; 99%
• Linear Formula: (C2H5)2NCON(C2H5)2