Basic information
- Name:
Urea,N'-methyl-N,N-diphenyl-
- CAS No.:
13114-72-2
- Molecular Structure:
- Formula:
- C14H14N2O
- Molecular Weight:
- 226.28
- Synonyms:
- Urea,3-methyl-1,1-diphenyl- (6CI,7CI,8CI);Acardit II;Acardite II;Akardit II;Akardite II;N-Methyl-N',N'-diphenylurea;N'-Methyl-N,N-diphenylurea;
- EINECS:
- 236-039-7
- Density:
- 1.151 g/cm3
- Melting Point:
- 172-174 °C(lit.)
- Boiling Point:
- 412.9 °C at 760 mmHg
- Flash Point:
- 203.5 °C
- Solubility:
- Insoluble in water
- Appearance:
- Needles or grayish-white powder
- Safety Description:
- 36/37 Details
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Specification
The Urea,N'-methyl-N,N-diphenyl-, with CAS registry number 13114-72-2, belongs to the following product categories: (1)Carbonyl Compounds; (2)Organic Building Blocks; (3)Ureas. It has the systematic name of 3-methyl-1,1-diphenylurea. This chemical is a kind of needles or grayish-white powder. This chemical irritates to eyes and respiratory system. And the chemical formula of this chemical is C14H14N2O.
Physical properties of Urea,N'-methyl-N,N-diphenyl-: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.86; (6)ACD/BCF (pH 7.4): 51.86; (7)ACD/KOC (pH 5.5): 587.59; (8)ACD/KOC (pH 7.4): 587.59; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 68.58 cm3; (15)Molar Volume: 196.4 cm3; (16)Polarizability: 27.19×10-24cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.151 g/cm3; (19)Flash Point: 203.5 °C; (20)Enthalpy of Vaporization: 66.56 kJ/mol; (21)Boiling Point: 412.9 °C at 760 mmHg; (22)Vapour Pressure: 5E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by diphenylamine and methylcarbamic acid ethyl ester. This reaction will need reagent phosphorus oxychloride. The reaction temperature is 80 - 90 ℃. The yield is about 83%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(c1ccccc1)c2ccccc2)NC
(2)InChI: InChI=1/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
(3)InChIKey: IMFYAZJNDOZIFV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C14H14N2O/c1-15-14(17)16(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,17)
(5)Std. InChIKey: IMFYAZJNDOZIFV-UHFFFAOYSA-N