Basic information
- Name:
Urea,N-(4-aminophenyl)-N'-phenyl-
- CAS No.:
10141-46-5
- Molecular Structure:
- Formula:
- C13H13N3O
- Synonyms:
- Carbanilide,4-amino- (6CI,7CI,8CI);1-(4-Aminophenyl)-3-phenylurea;NSC 190807;N-(4-Aminophenyl)-N'-phenyl-urea;4-Aminocarbanilide;
- Density:
- 1.32 g/cm3
- Boiling Point:
- 321.451 °C at 760 mmHg
- Flash Point:
- 148.209 °C
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Specification
The Urea,N-(4-aminophenyl)-N'-phenyl-, with the CAS registry number 10141-46-5, is also known as N-(4-aminophenyl)(phenylamino)carboxamide. This chemical's molecular formula is C13H13N3O. What's more, its systematic name is 1-(4-aminophenyl)-3-phenylurea.
Physical properties of Urea,N-(4-aminophenyl)-N'-phenyl- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.833; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 13.619; (6)ACD/BCF (pH 7.4): 17.858; (7)ACD/KOC (pH 5.5): 208.689; (8)ACD/KOC (pH 7.4): 273.649; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.738; (14)Molar Refractivity: 69.309 cm3; (15)Molar Volume: 172.137 cm3; (16)Polarizability: 27.476×10-24 cm3; (17)Surface Tension: 66.351 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 148.209 °C; (20)Enthalpy of Vaporization: 56.321 kJ/mol; (21)Boiling Point: 321.451 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: c1ccc(cc1)NC(=O)Nc2ccc(cc2)N
(2)InChI: InChI=1/C13H13N3O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,14H2,(H2,15,16,17)
(3)InChIKey: OISZIRHDSSOUKW-UHFFFAOYAL