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| CAS No.: | 2050-54-6 |
|---|---|
| Name: | DIBUTYLCYANAMIDE |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C9H18N2 |
| Molecular Weight: | 154.255 |
| Synonyms: | Cyanamide,dibutyl- (7CI,9CI);Dibutylcyanamide;Dibutylcyanoamine;NSC 227423;NSC 6319; |
| Density: | 0.867 g/cm3 |
| Boiling Point: | 264.5 °C at 760 mmHg |
| Flash Point: | 100.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 23/24/25 |
| Safety: | 26-36/37/39 |
| PSA: | 27.03000 |
| LogP: | 2.36968 |
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Specification
The Cyanamide, N,N-dibutyl-, with the CAS registry number 2050-54-6, is also known as N,N-Dibutyl cyanamide. It belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C9H18N2 and molecular weight is 154.25. What's more, both its IUPAC name and systematic name are the same which is called Dibutylcyanamide.
Physical properties about Cyanamide, N,N-dibutyl- are: (1) ACD/LogP: 3.04; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.04; (4) ACD/LogD (pH 7.4): 3.04; (5) ACD/BCF (pH 5.5): 119.94; (6) ACD/BCF (pH 7.4): 119.94; (7) ACD/KOC (pH 5.5): 1070.84; (8) ACD/KOC (pH 7.4): 1070.84; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 6; (12) Polar Surface Area: 27.03 Å2; (13) Index of Refraction: 1.445; (14) Molar Refractivity: 47.37 cm3; (15) Molar Volume: 177.7 cm3; (16) Surface Tension: 32.4 dyne/cm; (17) Density: 0.867 g/cm3; (18) Flash Point: 100.7 °C; (19) Enthalpy of Vaporization: 50.24 kJ/mol; (20) Boiling Point: 264.5 °C at 760 mmHg; (21) Vapour Pressure: 0.00965 mmHg at 25 °C.
Preparation of Cyanamide, N,N-dibutyl-: this chemical can be prepared by N,N-Dibutyl-urea. This reaction needs reagent 50 percent aq. NaOH, Triethylamine and solvent CHCl3 at temperature of 40-50 °C. The yield is 65 %.
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Uses of Cyanamide, N,N-dibutyl-: it is used to produce other chemicals. For example, it is used to produce 2-Dibutylamino-6-phenyl-[1,3]oxazin-4-one. This reaction will occur at temperature of 140 °C for 20 minutes. The yield is 40 %.
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When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is toxic by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CN(CCCC)CCCC
(2) InChI: InChI=1/C9H18N2/c1-3-5-7-11(9-10)8-6-4-2/h3-8H2,1-2H3
(3) InChIKey: SOGFATPCYLMCMQ-UHFFFAOYAR