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Name |
1,2-Naphthalenedione,4-[(4-methylphenyl)amino]- |
EINECS | N/A |
CAS No. | 69085-39-8 | Density | 1.304 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H13NO2 | Boiling Point | 440.7 °C at 760 mmHg |
Molecular Weight | 263.296 | Flash Point | 170.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(p-Methylanilino)-1,2-naphthoquinone;NSC 117024;NSC 130877;NSC 637727; |
Article Data | 10 |
This chemical is called 1,2-Naphthalenedione,4-[(4-methylphenyl)amino]-, and its IUPAC name is 4-(4-methylanilino)naphthalene-1,2-dione. With the molecular formula of C17H13NO2, its molecular weight is 263.29. The CAS registry number of this chemical is 69085-39-8.
Other characteristics of the 1,2-Naphthalenedione,4-[(4-methylphenyl)amino]- can be summarised as followings: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 76.95 cm3; (9)Molar Volume: 201.7 cm3; (10)Polarizability: 30.5×10-24cm3; (11)Surface Tension: 62.4 dyne/cm; (12)Density: 1.304 g/cm3; (13)Flash Point: 170.9 °C; (14)Enthalpy of Vaporization: 69.79 kJ/mol; (15)Boiling Point: 440.7 °C at 760 mmHg; (16)Vapour Pressure: 5.76E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1c3ccccc3\C(=C/C1=O)Nc2ccc(cc2)C
2.InChI: InChI=1/C17H13NO2/c1-11-6-8-12(9-7-11)18-15-10-16(19)17(20)14-5-3-2-4-13(14)15/h2-10,18H,1H3
3.InChIKey: ICGLGYCHUQDWMB-UHFFFAOYAD