Basic information
- Name:
Urea,N-cyclopropyl-
- CAS No.:
19757-64-3
- Molecular Structure:
- Formula:
- C4H8N2O
- Molecular Weight:
- 100.1191
- Synonyms:
- Urea,cyclopropyl- (7CI,8CI,9CI);Cyclopropylurea;NSC 117244;
- Density:
- 1.17g/cm3
- Boiling Point:
- 179.7 °C at 760 mmHg
- Flash Point:
- 62.5 °C
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Specification
The Urea,N-cyclopropyl-, with CAS registry number 19757-64-3, has the systematic name of 1-cyclopropylurea. Besides this, it is also called N-Cyclopropylurea. Its molecular weight is 100.1191. And the chemical formula of this chemical is C4H8N2O.
Physical properties of Urea,N-cyclopropyl-: (1)ACD/LogP: -0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.86; (4)ACD/LogD (pH 7.4): -0.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.1; (8)ACD/KOC (pH 7.4): 8.1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 25.88 cm3; (15)Molar Volume: 85.2 cm3; (16)Polarizability: 10.26×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 62.5 °C; (20)Enthalpy of Vaporization: 41.6 kJ/mol; (21)Boiling Point: 179.7 °C at 760 mmHg; (22)Vapour Pressure: 0.929 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)NC1CC1
(2)InChI: InChI=1/C4H8N2O/c5-4(7)6-3-1-2-3/h3H,1-2H2,(H3,5,6,7)
(3)InChIKey: CLMGCKCDSPUQEE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H8N2O/c5-4(7)6-3-1-2-3/h3H,1-2H2,(H3,5,6,7)
(5)Std. InChIKey: CLMGCKCDSPUQEE-UHFFFAOYSA-N