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CAS No.: | 1459-39-8 |
---|---|
Name: | Cycloheptanecarboxamide |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H15NO |
Molecular Weight: | 141.213 |
Synonyms: | cycloheptanecarboxamide |
Density: | 0.99 g/cm3 |
Melting Point: | 193-194 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 295.2 °C at 760 mmHg |
Flash Point: | 132.3 °C |
PSA: | 44.08000 |
LogP: | 2.59180 |
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The CAS registry number of Cycloheptanecarboxamide is 1459-39-8. This chemical's molecular formula is C8H15NO and molecular weight is 141.2108. What's more, both its IUPAC name and systematic name are the same which is called Cycloheptanecarboxamide.
Physical properties about Cycloheptanecarboxamide are: (1)ACD/LogP: 1.39; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.7; (6)ACD/BCF (pH 7.4): 6.7; (7)ACD/KOC (pH 5.5): 135.81; (8)ACD/KOC (pH 7.4): 135.81; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 40.38 cm3; (15)Molar Volume: 142.6 cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 0.99 g/cm3; (18)Flash Point: 132.3 °C; (19)Enthalpy of Vaporization: 53.49 kJ/mol; (20)Boiling Point: 295.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00155 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)C1CCCCCC1
(2) InChI: InChI=1/C8H15NO/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H2,9,10)
(3) InChIKey: QJVFPOMUIKCQED-UHFFFAOYAI