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1792-17-2

Basic Information
CAS No.: 1792-17-2
Name: Dibutylurea
Article Data: 126
Molecular Structure:
Molecular Structure of 1792-17-2 (Dibutylurea)
Formula: C9H20N2O
Molecular Weight: 172.271
Synonyms: Urea,1,3-dibutyl- (6CI,7CI,8CI);1,3-Di-n-butylurea;1,3-Dibutylurea;Dibutylurea;N,N'-Di-n-butylurea;N,N'-Dibutylurea;NSC 131939;SRI 434-37;
EINECS: 217-258-7
Density: 0.897 g/cm3
Melting Point: 65-75 °C
Boiling Point: 310.9 °C at 760 mmHg
Flash Point: 124.1 °C
Appearance: white to pink or light beige crystalline powder
Safety: 24/25
PSA: 41.13000
LogP: 2.66760
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Specification

The Dibutylurea with the CAS number 1792-17-2 is also called Urea, N,N'-dibutyl-. Both the systematic name and IUPAC name are 1,3-dibutylurea. Its molecular formula is C9H20N2O. The EINECS registry number is 217-258-7. This chemical is white to pink or light beige crystalline powder. While using this chemical, you should avoid it contact with skin and eyes.

The properties of the Dibutylurea are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.38; (6)ACD/BCF (pH 7.4): 26.38; (7)ACD/KOC (pH 5.5): 362.21; (8)ACD/KOC (pH 7.4): 362.21; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 50.96 cm3; (15)Molar Volume: 191.8 cm3; (16)Polarizability: 20.2×10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Enthalpy of Vaporization: 55.17 kJ/mol; (19)Vapour Pressure: 0.000584 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of butylamine and carbon monoxide. This reaction needs reagent sulfur at temperature of 120 °C.

Uses: This chemical can prepare dibutylcarbodiimide. This reaction needs reagent (C6H5)3PBr2, (C2H5)3N and solvent CH2Cl2 at temperature of 0 °C. The reaction time is 60 hours. The yield is 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCC)NCCCC
(2)InChI: InChI=1/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
(3)InChIKey: AQSQFWLMFCKKMG-UHFFFAOYAI