Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,8-Diazaspiro[4.5]decan-3-one |
EINECS | N/A |
CAS No. | 561314-57-6 | Density | 1.129 g/cm3 |
PSA | 41.13000 | LogP | 0.53370 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H14N2O | Boiling Point | 360.137 °C at 760 mmHg |
Molecular Weight | 154.212 | Flash Point | 170.81 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,8-DIAZASPIRO[4.5]DECAN-3-ONE |
Article Data | 3 |
The 2,8-Diazaspiro[4.5]decan-3-one has the CAS registry number 561314-57-6. This chemical's molecular formula is C8H14N2O and molecular weight is 154.21. What's more, its systematic name is 2,8-diazaspiro[4.5]decan-3-one.
Physical properties of 2,8-Diazaspiro[4.5]decan-3-one are: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 42.427 cm3; (15)Molar Volume: 136.606 cm3; (16)Polarizability: 16.819×10-24cm3; (17)Surface Tension: 42.759 dyne/cm; (18)Density: 1.129 g/cm3; (19)Flash Point: 170.81 °C; (20)Enthalpy of Vaporization: 60.582 kJ/mol; (21)Boiling Point: 360.137 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCC2(C1)CCNCC2
(2)InChI: InChI=1S/C8H14N2O/c11-7-5-8(6-10-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)
(3)InChIKey: ASPBBYVNTMIKLA-UHFFFAOYSA-N