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34421-99-3

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Basic Information
CAS No.: 34421-99-3
Name: 1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine
Article Data: 16
Molecular Structure:
Molecular Structure of 34421-99-3 (1,2,3,5,6,7-hexahydrodicyclopenta[b,e]pyridine)
Formula: C11H13N
Molecular Weight: 159.231
Synonyms: 1,2,3,5,6,7-Hexahydrodicyclopenta[b,e]pyridine;
EINECS: 252-009-6
Density: 1.13 g/cm3
Boiling Point: 261.4 °C at 760 mmHg
Flash Point: 110.1 °C
PSA: 12.89000
LogP: 2.05900
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Specification

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