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CAS No.: | 94497-53-7 |
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Name: | Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C23H27NO3 |
Molecular Weight: | 365.472 |
Synonyms: | Am 81; |
Density: | 1.107 g/cm3 |
Melting Point: | 211-212 °C |
Boiling Point: | 433.9 °C at 760 mmHg |
Flash Point: | 216.2 °C |
PSA: | 55.40000 |
LogP: | 5.14750 |
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The Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate, with the cas number 94497-53-7, is also called Am 81. Its molecular formula is C23H27NO3.
The properties of the chemical are: (1)ACD/LogP: 6.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.78; (4)ACD/LogD (pH 7.4): 6.78; (5)ACD/BCF (pH 5.5): 83440.73; (6)ACD/BCF (pH 7.4): 83440.46; (7)ACD/KOC (pH 5.5): 115958.46; (8)ACD/KOC (pH 7.4): 115958.08; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 108.03 cm3; (15)Molar Volume: 329.8 cm3; (16)Polarizability: 42.82×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Enthalpy of Vaporization: 68.99 kJ/mol; (19)Vapour Pressure: 9.91×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc(cc1)C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C
(2)InChI: InChI=1/C23H27NO3/c1-22(2)12-13-23(3,4)19-14-17(10-11-18(19)22)24-20(25)15-6-8-16(9-7-15)21(26)27-5/h6-11,14H,12-13H2,1-5H3,(H,24,25)
(3)InChIKey: CBBXAIYXFKPCMD-UHFFFAOYAE