1,3-dimethyl-1,3-diphenylurea

• ChemBase ID: 109982
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: CN(C(=O)N(C)c1ccccc1)c1ccccc1
• Canonical SMILES: CN(C(=O)N(c1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
• InChIKey: ADCBKYIHQQCFHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-1,3-diphenylurea
• IUPAC Traditional name: 1,3-dimethyl-1,3-diphenylurea
• Synonyms: 1,3-Dimethyl-1,3-diphenylurea; N,N-DIMETHYL CARBANILIDE; N,N'-二甲基-N,N'-二苯脲

Database IDs

• CAS Number: 611-92-7
• EC Number: 210-283-4
• MDL Number: MFCD00025642
• PubChem SID: 24863180; 162095605
• PubChem CID: 11917

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8467872
• LogD (pH = 7.4): 2.8467872
• Log P: 2.8467872
• Molar Refractivity: 72.2846 cm^3
• Polarizability: 27.778791 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 120-122 °C(lit.)

Safety Information

• RTECS: FE0600000
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... EPHX2(2053)mouse ... Ephx2(13850)

Product Information

• Purity: 99%
• Linear Formula: [C6H5N(CH3)]2CO

DETAILS

MP Biomedicals - 05213277

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 372897

Packaging
100 g in glass bottle