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CAS No.: | 6248-33-5 |
---|---|
Name: | diethyl 2-(2-naphthylamino)malonate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C17H19NO4 |
Molecular Weight: | 301.3371 |
Synonyms: | NSC117547; |
Density: | 1.208 g/cm3 |
Boiling Point: | 431 °C at 760 mmHg |
Flash Point: | 214.4 °C |
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The CAS registry number of Diethyl 2-(naphthalen-2-ylamino)propanedioate is 6248-33-5. This chemical is also named as NSC117547. Its molecular formula is C17H19NO4 and molecular weight is 301.3371. Its systematic name and IUPAC name are the same which is called diethyl (naphthalen-2-ylamino)propanedioate.
Physical properties about Diethyl 2-(naphthalen-2-ylamino)propanedioate are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.597; (7)Molar Refractivity: 85.01 cm3; (8)Molar Volume: 249.3 cm3; (9)Surface Tension: 47.7 dyne/cm; (10)Density: 1.208 g/cm3; (11)Flash Point: 214.4 °C; (12)Enthalpy of Vaporization: 68.65 kJ/mol; (13)Boiling Point: 431 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)Nc2ccc1c(cccc1)c2
(2)InChI: InChI=1/C17H19NO4/c1-3-21-16(19)15(17(20)22-4-2)18-14-10-9-12-7-5-6-8-13(12)11-14/h5-11,15,18H,3-4H2,1-2H3
(3)InChIKey: ACVAPXTZJANMHB-UHFFFAOYAC