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180-94-9

Basic Information
CAS No.: 180-94-9
Name: PIPERIDONE-4-PROPYLENKETAL
Article Data: 8
Molecular Structure:
Molecular Structure of 180-94-9 (PIPERIDONE-4-PROPYLENKETAL)
Formula: C8H15NO2
Molecular Weight: 157.213
Synonyms: 4-Piperidinone,cyclic 1,3-propanediyl acetal;4-Piperidone cyclic trimethylene acetal;
Density: 1.08 g/cm3
Boiling Point: 252 °C at 760 mmHg
Flash Point: 95.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 30.49000
LogP: 0.83180
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Specification

This chemical is called 1,5-Dioxa-9-azaspiro[5.5]undecane, and its CAS registry number is 180-94-9. With the molecular formula of C8H15NO2, its molecular weight is 157.21.

Other characteristics of the 1,5-Dioxa-9-azaspiro[5.5]undecane can be summarised as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.72; (4)ACD/LogD (pH 7.4): -2.34; (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: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 42.14 cm3; (15)Molar Volume: 144.3 cm3; (16)Polarizability: 16.7×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 95.4 °C; (20)Enthalpy of Vaporization: 48.93 kJ/mol; (21)Boiling Point: 252 °C at 760 mmHg; (22)Vapour Pressure: 0.0198 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O1C2(OCCC1)CCNCC2
2.InChI: InChI=1/C8H15NO2/c1-6-10-8(11-7-1)2-4-9-5-3-8/h9H,1-7H2
3.InChIKey: ZQGLEEFGEZLSAJ-UHFFFAOYAP