2,8-Diazaspiro[4.5]decan-3-one supplier

Name
2,8-Diazaspiro[4.5]decan-3-one
EINECS
CAS No. 561314-57-6
Article Data3
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point
Formula C₈H₁₄N₂O
Boiling Point 360.137 °C at 760 mmHg
Molecular Weight 154.212
Flash Point 170.81 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2,8-DIAZASPIRO[4.5]DECAN-3-ONE
PSA 41.13000
LogP 0.53370

2,8-Diazaspiro[4.5]decan-3-one Specification

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

Product Name

2,8-Diazaspiro[4.5]decan-3-one

2,8-Diazaspiro[4.5]decan-3-one Specification

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