Basic information
- Name:
Urea,N,N'-di-2-propen-1-yl-
- CAS No.:
1801-72-5
- Molecular Structure:
- Formula:
- C7H12N2O
- Molecular Weight:
- 140.183
- Synonyms:
- Urea,1,3-diallyl- (6CI,7CI,8CI);Urea, N,N'-di-2-propenyl- (9CI);1,3-Diallylurea;N,N'-Bis(2-propenyl)urea;N,N'-Di-2-propenylurea;N,N'-Diallylurea;NSC 102722;
- EINECS:
- 217-291-7
- Density:
- 0.94 g/cm3
- Melting Point:
- 90-93 °C(lit.)
- Boiling Point:
- 285.3 °C at 760 mmHg
- Flash Point:
- 129.6 °C
- Appearance:
- white to light yellow crystals.
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Specification
The Urea,N,N'-di-2-propen-1-yl- is an organic compound with the formula C7H12N2O. The IUPAC name of this chemical is 1,3-bis(prop-2-enyl)urea. With the CAS registry number 1801-72-5, it is also named as Urea, N,N'-di-2-propenyl-. The product's categories are Carbonyl Compounds; Organic Building Blocks; Ureas. Besides, it should be stored in a closed cool and dry place.
Physical properties about Urea,N,N'-di-2-propen-1-yl- are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 2.09; (5)ACD/BCF (pH 7.4): 2.09; (6)ACD/KOC (pH 5.5): 58.93; (7)ACD/KOC (pH 7.4): 58.93; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 23.55 Å2; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 41.14 cm3; (14)Molar Volume: 149 cm3; (15)Polarizability: 16.31×10-24cm3; (16)Surface Tension: 30.3 dyne/cm; (17)Density: 0.94 g/cm3; (18)Flash Point: 129.6 °C; (19)Enthalpy of Vaporization: 52.44 kJ/mol; (20)Boiling Point: 285.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00282 mmHg at 25°C.
Preparation of Urea,N,N'-di-2-propen-1-yl-: this chemical can be prepared by allylamine and carbon dioxide. This reaction will need catalysts Ph3SbO, P4S10 and solvent benzene. The reaction time is 12 hours with reaction temperature of 80 °C. The yield is about 62%.
Uses of Urea,N,N'-di-2-propen-1-yl-: it can be used to produce 1,3-diallyl-3α,8α-dihydroxy-1,3,3α,8α-tetrahydro-indeno[1,2-d]imidazole-2,8-dione at temperature of 50 - 60 °C. It will need reagent solvent H2O. The yield is about 56%.
![Urea,N,N'-di-2-propen-1-yl- and indan-1,2,3-trione hydrate can be used to produce 1,3-diallyl-3α,8α-dihydroxy-1,3,3α,8α-tetrahydro-indeno[1,2-d]imidazole-2,8-dione](/UserFilesUpload/Uses of Urea,N,N'-di-2-propen-1-yl-.gif)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC/C=C)NC\C=C
(2)InChI: InChI=1/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)
(3)InChIKey: QRWVOJLTHSRPOA-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H12N2O/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)
(5)Std. InChIKey: QRWVOJLTHSRPOA-UHFFFAOYSA-N