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CAS No.: | 6973-77-9 |
---|---|
Name: | N-(1-NAPHTHYL)MALEAMIC ACID |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C14H11NO3 |
Molecular Weight: | 241.246 |
Synonyms: | 2-Butenoicacid, 4-(1-naphthalenylamino)-4-oxo-, (Z)-;Maleamic acid, N-(1-naphthyl)-(6CI);Malea-1-naphthalanilic acid;N-(1-Naphthyl)maleamic acid; |
Density: | 1.356 g/cm3 |
Boiling Point: | 533.9 °C at 760 mmHg |
Flash Point: | 276.7 °C |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | R36/37/38 |
PSA: | 66.40000 |
LogP: | 2.49210 |
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The CAS register number of 2-Butenoic acid,4-(1-naphthalenylamino)-4-oxo-, (2Z)- is 6973-77-9. It also can be called as 3-(Naphthalen-1-ylcarbamoyl)-acrylic acid and the IUPAC name about this chemical is (Z)-4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid. The molecular formula about this chemical is C14H11NO3 and the molecular weight is 241.24.
Physical properties about 2-Butenoic acid,4-(1-naphthalenylamino)-4-oxo-, (2Z)- are: (1)ACD/LogP: 2.54; (2)ACD/LogD (pH 5.5): 0.02; (3)ACD/LogD (pH 7.4): -1.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.74; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61Å2; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 69.25 cm3; (14)Molar Volume: 177.8 cm3; (15)Polarizability: 27.45x10-24cm3; (16)Surface Tension: 64.1 dyne/cm; (17)Flash Point: 276.7 °C; (18)Enthalpy of Vaporization: 85.25 kJ/mol; (19)Boiling Point: 533.9 °C at 760 mmHg; (20)Vapour Pressure: 3.15E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)Nc2cccc1ccccc12
(2)InChI: InChI=1/C14H11NO3/c16-13(8-9-14(17)18)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16)(H,17,18)/b9-8-
(3)InChIKey: DNIIAZFRGKFYSJ-HJWRWDBZBD
(4)Std. InChI: InChI=1S/C14H11NO3/c16-13(8-9-14(17)18)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16)(H,17,18)/b9-8-
(5)Std. InChIKey: DNIIAZFRGKFYSJ-HJWRWDBZSA-N