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CAS No.: | 383128-97-0 |
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Name: | 2-PYRIDIN-2-YL-AZEPANE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H16N2 |
Molecular Weight: | 176.261 |
Synonyms: | 2-Pyridin-2-ylazepane;2-(2-Pyridinyl)azepan; |
Density: | 0.992 g/cm3 |
Boiling Point: | 298.3 ºC at 760 mmHg |
Flash Point: | 134.2 ºC |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 24.92000 |
LogP: | 2.61510 |
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The 1H-Azepine,hexahydro-2-(2-pyridinyl)-, with the CAS registry number 383128-97-0, is also known as 2-(2-Pyridinyl)azepan. This chemical's molecular formula is C11H16N2 and molecular weight is 176.26. What's more, its systematic name is 2-pyridin-2-ylazepane.
Physical properties of 1H-Azepine,hexahydro-2-(2-pyridinyl)- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 53.55 cm3; (15)Molar Volume: 177.6 cm3; (16)Polarizability: 21.23×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 0.992 g/cm3; (19)Flash Point: 134.2 °C; (20)Enthalpy of Vaporization: 53.82 kJ/mol; (21)Boiling Point: 298.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00128 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cccc1)C2NCCCCC2
(2)InChI: InChI=1S/C11H16N2/c1-2-6-10(12-8-4-1)11-7-3-5-9-13-11/h3,5,7,9-10,12H,1-2,4,6,8H2
(3)InChIKey: UHHGQPLKNWNWOW-UHFFFAOYSA-N