Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate supplier

Name
Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate
EINECS
CAS No. 94497-53-7
Article Data5
CAS DataBase
Density 1.107 g/cm³
Solubility
Melting Point 211-212 °C
Formula C₂₃H₂₇NO₃
Boiling Point 433.9 °C at 760 mmHg
Molecular Weight 365.472
Flash Point 216.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Am 81;
PSA 55.40000
LogP 5.14750

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate Specification

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^-8mmHg 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

Product Name

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate

Methyl 4-((5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl)benzoate Specification

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