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1,1,4,4-Tetramethyl-6-nitro-1,2,3,4-tetrahydronaphthalene

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Name

1,1,4,4-Tetramethyl-6-nitro-1,2,3,4-tetrahydronaphthalene

EINECS N/A
CAS No. 102121-55-1 Density 1.037 g/cm3
PSA 45.82000 LogP 4.46700
Solubility N/A Melting Point N/A
Formula C14H19NO2 Boiling Point 317.472 °C at 760 mmHg
Molecular Weight 233.31 Flash Point 127.888 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 102121-55-1 (2-Nitro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene) Hazard Symbols N/A
Synonyms

1,1,4,4-Tetramethyl-6-nitro-1,2,3,4-tetrahydronaphthalene;2-Nitro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene;2-Nitro-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene;

Article Data 14

1,1,4,4-Tetramethyl-6-nitro-1,2,3,4-tetrahydronaphthalene Specification

The Naphthalene,1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-nitro-, with the CAS registry number 102121-55-1, is also known as 2-Nitro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene. This chemical's molecular formula is C14H19NO2 and molecular weight is 233.31. What's more, its systematic name is 1,1,4,4-tetramethyl-6-nitro-1,2,3,4-tetrahydronaphthalene. 

Physical properties of Naphthalene,1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-6-nitro- are: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 12643; (6)ACD/BCF (pH 7.4): 12643; (7)ACD/KOC (pH 5.5): 30039; (8)ACD/KOC (pH 7.4): 30039; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 68.227 cm3; (15)Molar Volume: 224.933 cm3; (16)Polarizability: 27.047×10-24cm3; (17)Surface Tension: 37.094 dyne/cm; (18)Density: 1.037 g/cm3; (19)Flash Point: 127.888 °C; (20)Enthalpy of Vaporization: 53.663 kJ/mol; (21)Boiling Point: 317.472 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C
(2)InChI: InChI=1S/C14H19NO2/c1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13/h5-6,9H,7-8H2,1-4H3
(3)InChIKey: ZABFOFGWNHHHOO-UHFFFAOYSA-N

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