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Piperidine,1-(2,2-diethoxyethyl)-

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Name

Piperidine,1-(2,2-diethoxyethyl)-

EINECS 222-802-1
CAS No. 3616-58-8 Density 0.939 g/cm3
PSA 21.70000 LogP 1.80930
Solubility N/A Melting Point N/A
Formula C11H23NO2 Boiling Point 220 °C at 760 mmHg
Molecular Weight 201.309 Flash Point 64 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3616-58-8 (N-(2,2-DIETHOXYETHYL)PIPERIDINE) Hazard Symbols IrritantXi
Synonyms

1-Piperidineacetaldehyde,diethyl acetal (6CI,7CI,8CI);NSC 66158;

Article Data 7

Piperidine,1-(2,2-diethoxyethyl)- Specification

The Piperidine,1-(2,2-diethoxyethyl)- is an organic compound with the formula C11H23NO2. The IUPAC name of this chemical is 1-(2,2-diethoxyethyl)piperidine. With the CAS registry number 3616-58-8, it is also named as 1-Piperidineacetaldehyde diethyl acetal. Besides, it should be stored in a closed cool and dry place.

Physical properties about Piperidine,1-(2,2-diethoxyethyl)- are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): -0.71; (3)ACD/LogD (pH 7.4): 0.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.79; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 21.7 Å2; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 57.93 cm3; (13)Molar Volume: 214.2 cm3; (14)Polarizability: 22.96×10-24cm3; (15)Surface Tension: 31.1 dyne/cm; (16)Density: 0.939 g/cm3; (17)Flash Point: 64 °C; (18)Enthalpy of Vaporization: 45.64 kJ/mol; (19)Boiling Point: 220 °C at 760 mmHg; (20)Vapour Pressure: 0.116 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. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C(OCC)CN1CCCCC1)CC
(2)InChI: InChI=1/C11H23NO2/c1-3-13-11(14-4-2)10-12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
(3)InChIKey: VSHHRRNJQBETGT-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H23NO2/c1-3-13-11(14-4-2)10-12-8-6-5-7-9-12/h11H,3-10H2,1-2H3
(5)Std. InChIKey: VSHHRRNJQBETGT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07816,

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