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CAS No.: | 1444-94-6 |
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Name: | 1,2-Cyclohexanedicarboximide |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H11NO2 |
Molecular Weight: | 153.181 |
Synonyms: | NSC 18823;Hexahydrophthalimide;1,2-Cyclohexanedicarboximide(6CI,7CI,8CI); |
EINECS: | 215-889-2 |
Density: | 1.18 g/cm3 |
Melting Point: | 135.0 to 139.0 °C |
Boiling Point: | 330.8 °C at 760 mmHg |
Flash Point: | 159.3 °C |
Appearance: | white crystalline powder |
PSA: | 46.17000 |
LogP: | 0.77800 |
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The 1,2-Cyclohexanedicarboximide, with the CAS registry number 1444-94-6, is also known as 1H-Isoindole-1,3(2H)-dione, hexahydro-. It belongs to the product categories of Diels-Alder Adducts; Acids and Derivatives; Heterocycles; API Intermediates; Heterocyclic Building Blocks. Its EINECS registry number is 215-889-2. This chemical's molecular formula is C8H11NO2 and molecular weight is 153.18. Its IUPAC name is called 3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione. What's more, this chemical is white crystalline powder.
Physical properties of 1,2-Cyclohexanedicarboximide: (1)ACD/LogP: 0.36; (2)ACD/LogD (pH 5.5): 0.36; (3)ACD/LogD (pH 7.4): 0.36; (4)ACD/BCF (pH 5.5): 1.11; (5)ACD/BCF (pH 7.4): 1.11; (6)ACD/KOC (pH 5.5): 37.51; (7)ACD/KOC (pH 7.4): 37.51; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.506; (11)Molar Refractivity: 38.55 cm3; (12)Molar Volume: 129.7 cm3; (13)Surface Tension: 39.8 dyne/cm; (14)Density: 1.18 g/cm3; (15)Flash Point: 159.3 °C; (16)Enthalpy of Vaporization: 57.34 kJ/mol; (17)Boiling Point: 330.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000163 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2C(C1)C(=O)NC2=O
(2)InChI: InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)
(3)InChIKey: WLDMPODMCFGWAA-UHFFFAOYSA-N