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CAS No.: | 30482-25-8 |
---|---|
Name: | 8-AMinoMethyl-1,4-dioxaspiro[4.5]decane |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C9H17NO2 |
Molecular Weight: | 171.239 |
Synonyms: | 1-(1,4-Dioxaspiro[4.5]decan-8-yl)methanamine; |
Density: | 1.088 g/cm3 |
Boiling Point: | 270.059 °C at 760 mmHg |
Flash Point: | 126.861 °C |
PSA: | 44.48000 |
LogP: | 1.57870 |
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The 1, 4-Dioxaspiro[4.5]decane-8-methanamine, with the CAS registry number 30482-25-8, is also known as C-(1, 4-Dioxa-spiro[4.5]dec-8-yl)-methylamine. This chemical's molecular formula is C9H17NO2 and molecular weight is 171.24. What's more, its systematic name is 1-(1, 4-Dioxaspiro[4.5]dec-8-yl)methanamine.
Physical properties about 1, 4-Dioxaspiro[4.5]decane-8-methanamine are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 2; (12)Polar Surface Area: 44.48 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 46.723 cm3; (15)Molar Volume: 157.423 cm3; (16)Polarizability: 18.522×10-24 cm3; (17)Surface Tension: 40.081 dyne/cm; (18)Density: 1.088 g/cm3; (19)Flash Point: 126.861 °C; (20)Enthalpy of Vaporization: 50.822 kJ/mol; (21)Boiling Point: 270.059 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O1C2(OCC1)CCC(CC2)CN
(2) InChI: InChI=1/C9H17NO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7,10H2
(3) InChIKey: OEBYRQFXIBUGSR-UHFFFAOYAP