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32745-69-0

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Basic Information
CAS No.: 32745-69-0
Name: 3-(4-tert-Butylphenyl)-1,1-dimethylurea
Article Data: 2
Molecular Structure:
Molecular Structure of 32745-69-0 (3-(4-tert-Butylphenyl)-1,1-dimethylurea)
Formula: C13H20N2O
Molecular Weight: 220.31
Synonyms: N'-[4-(tert-butyl)phenyl]-N,N-dimethylurea;Urea, N'-[4-(1,1-dimethylethyl)phenyl]-N,N-dimethyl-;
Density: 1.034 g/cm3
Boiling Point: 362.8 °C at 760 mmHg
Flash Point: 173.2 °C
PSA: 32.34000
LogP: 3.15060
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Specification

The CAS registry number of 1,1-Dimethyl-3-(4-tert-butylphenyl)urea is 32745-69-0. In addition, the molecular formula is C13H20N2O and the molecular weight is 220.31. Its systematic name is 3-(4-tert-butylphenyl)-1,1-dimethylurea. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1,1-Dimethyl-3-(4-tert-butylphenyl)urea are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.79; (6)ACD/BCF (pH 7.4): 62.8; (7)ACD/KOC (pH 5.5): 673.85; (8)ACD/KOC (pH 7.4): 673.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 67.26 cm3; (15)Molar Volume: 212.9 cm3; (16)Polarizability: 26.66 ×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 173.2 °C; (20)Enthalpy of Vaporization: 60.87 kJ/mol; (21)Boiling Point: 362.8 °C at 760 mmHg; (22)Vapour Pressure: 1.89E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)C(C)(C)C)N(C)C
(2)Std. InChI: InChI=1S/C13H20N2O/c1-13(2,3)10-6-8-11(9-7-10)14-12(16)15(4)5/h6-9H,1-5H3,(H,14,16)
(3)Std. InChIKey: HISRRIPMKSWSQV-UHFFFAOYSA-N