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176-33-0

Basic Information
CAS No.: 176-33-0
Name: 1,4-Dioxa-7-azaspiro[4.4]nonane
Article Data: 7
Cas Database
Molecular Structure:
Molecular Structure of 176-33-0 (1,4-Dioxa-7-azaspiro[4.4]nonane)
Formula: C6H11NO2
Molecular Weight: 129.159
Synonyms: 1,4-Dioxa-7-aza-spiro[4.4]nonane;
EINECS: N/A
Density: 1.161 g/cm3
Melting Point: N/A
Boiling Point: 206.714 °C at 760 mmHg
Flash Point: 72 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety: 39
Transport Information: N/A
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