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| CAS No.: | 176-33-0 |
|---|---|
| Name: | 1,4-DIOXA-7-AZA-SPIRO[4.4]NONANE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | 1,4-Dioxa-7-aza-spiro[4.4]nonane; |
| Density: | 1.161 g/cm3 |
| Boiling Point: | 206.714 °C at 760 mmHg |
| Flash Point: | 72 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 39 |
| PSA: | 30.49000 |
| LogP: | 0.05160 |
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Specification
The 1, 4-Dioxa-7-azaspiro[4.4]nonane, with the CAS registry number 176-33-0, is also known as 1, 4-Dioxa-7-aza-spiro[4.4]nonane. This chemical's molecular formula is C6H11NO2 and molecular weight is 129.16. What's more, its systematic name is 1, 4-Dioxa-7-azaspiro[4.4]nonane. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1, 4-Dioxa-7-azaspiro[4.4]nonane are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 30.49 Å2; (11)Index of Refraction: 1.503; (12)Molar Refractivity: 32.88 cm3; (13)Molar Volume: 111.24 cm3; (14)Polarizability: 13.035×10-24 cm3; (15)Surface Tension: 38.133 dyne/cm; (16)Density: 1.161 g/cm3; (17)Flash Point: 72 °C; (18)Enthalpy of Vaporization: 44.296 kJ/mol; (19)Boiling Point: 206.714 °C at 760 mmHg; (20)Vapour Pressure: 0.234 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1CNCC12OCCO2
(2) InChI: InChI=1/C6H11NO2/c1-2-7-5-6(1)8-3-4-9-6/h7H,1-5H2
(3) InChIKey: JTOUWLZSXWMCSH-UHFFFAOYAH