CAS No.3616-58-8,N-(2,2-DIETHOXYETHYL)PIPERIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3616-58-8
Name:	N-(2,2-DIETHOXYETHYL)PIPERIDINE
Article Data:	7

Formula:	C₁₁H₂₃NO₂
Molecular Weight:	201.309
Synonyms:	1-Piperidineacetaldehyde,diethyl acetal (6CI,7CI,8CI);NSC 66158;
EINECS:	222-802-1
Density:	0.939 g/cm³
Boiling Point:	220 °C at 760 mmHg
Flash Point:	64 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	21.70000
LogP:	1.80930

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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,