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436088-58-3

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Basic Information
CAS No.: 436088-58-3
Name: 5-Azepan-1-yl-furan-2-carbaldehyde
Molecular Structure:
Molecular Structure of 436088-58-3 (5-Azepan-1-yl-furan-2-carbaldehyde)
Formula: C11H15NO2
Molecular Weight: 193.2423
Synonyms: 5-(azepan-1-yl)furan-2-carbaldehyde;2-furancarboxaldehyde,5-(hexahydro-1H-azepin-1-yl)-;5-(Azepan-1-yl)-2-furaldehyde;
Density: 1.111 g/cm3
Boiling Point: 343.9ºC at 760 mmHg
Flash Point: 161.8ºC
Hazard Symbols: IrritantXi
PSA: 33.45000
LogP: 2.53750
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Specification

The 5-Azepan-1-yl-furan-2-carbaldehyde with CAS registry number of 436088-58-3 is also called 5-(azepan-1-yl)furan-2-carbaldehyde. In addition, the formula is C11H15NO2 and the molecular weight is 193.2423. It has irritant.

Physical properties about this chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 33.45 Å2; (7)Index of Refraction: 1.542; (8)Molar Refractivity: 54.73 cm3; (9)Molar Volume: 173.8 cm3; (10)Polarizability: 21.69 ×10-24cm3; (11)Surface Tension: 42.2 dyne/cm; (12)Density: 1.111 g/cm3; (13)Flash Point: 161.8 °C; (14)Enthalpy of Vaporization: 58.78 kJ/mol; (15)Boiling Point: 343.9 °C at 760 mmHg; (16)Vapour Pressure: 6.84E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2oc(N1CCCCCC1)cc2
(2)InChI: InChI=1/C11H15NO2/c13-9-10-5-6-11(14-10)12-7-3-1-2-4-8-12/h5-6,9H,1-4,7-8H2
(3)InChIKey: PXBGLUZBWRZSRP-UHFFFAOYAP