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| Name |
4,4'-Methylenebis(1,1-dimethyl-3-phenylurea) |
EINECS | N/A |
| CAS No. | 10097-09-3 | Density | 1.204 g/cm3 |
| PSA | 64.68000 | LogP | 3.61040 |
| Solubility | N/A | Melting Point |
345 °C |
| Formula | C19H24N4O2 | Boiling Point | 595.5 °C at 760 mmHg |
| Molecular Weight | 340.425 | Flash Point | 313.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Urea,1,1'-(methylenedi-p-phenylene)bis[3,3-dimethyl- (7CI,8CI);4,4'-Bis(N,N-dimethylureido)diphenylmethane;4,4'-Methylenebis(phenyldimethylurea);4,4'-Methylenediphenylenebis(dimethylurea);Bis[4-(N,N-dimethylureido)phenyl]methane;Bis[4-(dimethylaminocarbonylamino)phenyl]methane;Bis[p-(N,N-dimethylurea)phenyl]methane;NSC 202633;Omicure 52;Omicure U 52; |
4,4'-Methylenebis(1,1-dimethyl-3-phenylurea) Specification
The 4,4'-Methylenebis(1,1-dimethyl-3-phenylurea), with the CAS registry number 10097-09-3, has the systematic name 3,3'-(methanediyldibenzene-4,1-diyl)bis(1,1-dimethylurea). Its molecular formula is C19H24N4O2 and its molecular weight is 340.42.
Other characteristics of the 4,4'-Methylenebis(1,1-dimethyl-3-phenylurea) can be summarised as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.17; (6)ACD/BCF (pH 7.4): 12.17; (7)ACD/KOC (pH 5.5): 208.14; (8)ACD/KOC (pH 7.4): 208.15; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 100.81 cm3; (15)Molar Volume: 282.5 cm3; (16)Polarizability: 39.96×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.204 g/cm3; (19)Flash Point: 313.9 °C; (20)Enthalpy of Vaporization: 88.74 kJ/mol; (21)Boiling Point: 595.5 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccc(cc1)Cc2ccc(NC(=O)N(C)C)cc2)N(C)C
2.InChI: InChI=1/C19H24N4O2/c1-22(2)18(24)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(25)23(3)4/h5-12H,13H2,1-4H3,(H,20,24)(H,21,25)
3.InChIKey: MOAPNXVHLARBNQ-UHFFFAOYAA
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