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CAS No.: | 6104-30-9 |
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Name: | N,N''-(isobutylidene)diurea |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C6H14 N4 O2 |
Molecular Weight: | 174.203 |
Synonyms: | Urea,1,1'-isobutylidenedi- (7CI,8CI); 1,1-Diureidoisobutane;1,1'-Isobutylidenebisurea; Diureidoisobutane; IBDU; Isobutylenediurea;Isobutylidenebisurea; Isobutylidenediurea; Isodur |
EINECS: | 228-055-8 |
Density: | 1.18 g/cm3 |
Melting Point: | 195-205ºC |
Boiling Point: | 309.9 °C at 760 mmHg |
Flash Point: | 141.2 °C |
Solubility: | Solubility in water, g/100 ml at 20ºC : 0.2 |
Appearance: | WHITE CRYSTALS. |
Safety: | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 110.24000 |
LogP: | 1.48750 |
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Molecular Structure of Isobutylenediurea (CAS NO. 6104-30-9):
EINECS: 228-055-8
IUPAC Name: [1-(Carbamoylamino)-2-methylpropyl]urea
Molecular Formula: C6H14N4O2
Molecular Weight: 174.200960 g/mol
XLogP3-AA: -0.8
H-Bond Donor: 4
H-Bond Acceptor: 2
Canonical SMILES: CC(C)C(NC(=O)N)NC(=O)N
InChI: InChI=1S/C6H14N4O2/c1-3(2)4(9-5(7)11)10-6(8)12/h3-4H,1-2H3,(H3,7,9,11)(H3,8,10,12)
InChIKey: QFHMNFAUXJAINK-UHFFFAOYSA-N
Index of Refraction: 1.509
Molar Refractivity: 44.08 cm3
Molar Volume: 147.5 cm3
Surface Tension: 48.6 dyne/cm
Density: 1.18 g/cm3
Flash Point: 141.2 °C
Enthalpy of Vaporization: 55.07 kJ/mol
Boiling Point: 309.9 °C at 760 mmHg
Vapour Pressure: 0.000622 mmHg at 25 °C
Water Solubility: 7.904e+004 mg/L at 25 °C
BRN of Isobutylenediurea (CAS NO. 6104-30-9): 1908981
Reported in EPA TSCA Inventory.
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
Isobutylenediurea with cas registry number of 6104-30-9 is also called for 1,1'-Isobutylidenebisurea ; 1,1-Diureidisobutane ; Diureidoisobutane ; IBDU ; Isobutyldiurea ; Isobutylidenediurea ; Isobutylidene diurea ; Isodur ; N,N''-(2-Methylpropylidene)bisurea ; N,N''-(Isobutylidene)diurea ; Urea, 1,1'-isobutylidenedi- ; Urea, N,N''-(2-methylpropylidene)bis- . It is widely used in horticulture, turf, etc due to its the performance of a slow-release nitrogen .