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Name |
Dicyclopenta[b,e]pyridine, 1,2,3,5,6,7-hexahydro- |
EINECS | 252-009-6 |
CAS No. | 34421-99-3 | Density | 1.13 g/cm3 |
PSA | 12.89000 | LogP | 2.05900 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13N | Boiling Point | 261.4 °C at 760 mmHg |
Molecular Weight | 159.231 | Flash Point | 110.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,2,3,5,6,7-Hexahydrodicyclopenta[b,e]pyridine; |
Article Data | 16 |
The Dicyclopenta[b,e]pyridine, 1,2,3,5,6,7-hexahydro- has the CAS registry number 34421-99-3. Its EINECS number is 252-009-6. This chemical's molecular formula is C11H13N and molecular weight is 159.23. What's more, its systematic name is 1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine.
Physical properties of Dicyclopenta[b,e]pyridine, 1,2,3,5,6,7-hexahydro- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 68.38; (7)ACD/KOC (pH 5.5): 24.76; (8)ACD/KOC (pH 7.4): 631.95; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 48.69 cm3; (15)Molar Volume: 140.8 cm3; (16)Polarizability: 19.3×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 110.1 °C; (20)Enthalpy of Vaporization: 47.9 kJ/mol; (21)Boiling Point: 261.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0188 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2=CC3=C(CCC3)N=C2C1
(2)InChI: InChI=1S/C11H13N/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h7H,1-6H2
(3)InChIKey: WFEKFUDZCWEZQO-UHFFFAOYSA-N
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