Basic Information | Post buying leads | Suppliers |
Name |
5-Azepan-1-yl-furan-2-carbaldehyde |
EINECS | N/A |
CAS No. | 436088-58-3 | Density | 1.111 g/cm3 |
PSA | 33.45000 | LogP | 2.53750 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H15NO2 | Boiling Point | 343.9ºC at 760 mmHg |
Molecular Weight | 193.2423 | Flash Point | 161.8ºC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-(azepan-1-yl)furan-2-carbaldehyde;2-furancarboxaldehyde,5-(hexahydro-1H-azepin-1-yl)-;5-(Azepan-1-yl)-2-furaldehyde; |
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