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CAS No.: | 588-23-8 |
---|---|
Name: | 4-ACETAMIDO-2',3-DIMETHYLAZOBENZENE |
Molecular Structure: | |
Formula: | C16H17N3O |
Molecular Weight: | 267.33 |
Synonyms: | N-{2-Methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}acetamide; |
Density: | 1.1 g/cm3 |
Melting Point: | 187°C |
Boiling Point: | 482.9 °C at 760 mmHg |
Flash Point: | 245.8 °C |
PSA: | 53.82000 |
LogP: | 4.75020 |
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The (E)-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)acetamide, With the CAS registry number 588-23-8, is also known as acetamide, N-[2-methyl-4-[(E)-2-(2-methylphenyl)diazenyl]phenyl]-. Its molecular formula is C16H17N3O and its molecular weight is 267.33.
Other characteristics of the (E)-N-(2-methyl-4-(o-tolyldiazenyl)phenyl)acetamide can be summarised as followings: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 905.62; (6)ACD/BCF (pH 7.4): 905.63; (7)ACD/KOC (pH 5.5): 4551.81; (8)ACD/KOC (pH 7.4): 4551.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.03 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 80.64 cm3; (15)Molar Volume: 241.9 cm3; (16)Polarizability: 31.96×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 245.8 °C; (20)Enthalpy of Vaporization: 74.79 kJ/mol; (21)Boiling Point: 482.9 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc2ccc(/N=N/c1ccccc1C)cc2C)C
2.InChI: InChI=1/C16H17N3O/c1-11-6-4-5-7-16(11)19-18-14-8-9-15(12(2)10-14)17-13(3)20/h4-10H,1-3H3,(H,17,20)/b19-18+
3.InChIKey: GFMVVEHDEIYWTL-VHEBQXMUBV