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Diethylaminoacetaldehyde diethyl acetal

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Name

Diethylaminoacetaldehyde diethyl acetal

EINECS 222-801-6
CAS No. 3616-57-7 Density 0.884 g/cm3
PSA 21.70000 LogP 1.72730
Solubility Very soluble in water Melting Point N/A
Formula C10H23NO2 Boiling Point 194.5 ºCat 760 mmHg
Molecular Weight 189.298 Flash Point 65 ºC
Transport Information N/A Appearance clear yellow to brown liquid
Safety 26-36/37/39-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3616-57-7 (2,2-Diethoxytriethylamine) Hazard Symbols IrritantXi
Synonyms

Acetaldehyde,(diethylamino)-, diethyl acetal (7CI,8CI);Triethylamine, 2,2-diethoxy- (8CI);(Diethylamino)acetaldehyde diethyl acetal;2,2-Diethoxy-N,N-diethylethylamine;2,2-Diethoxytriethylamine;NSC 62128;

Article Data 8

Diethylaminoacetaldehyde diethyl acetal Specification

The IUPAC name of Diethylaminoacetaldehyde diethyl acetal is 2,2-diethoxy-N,N-diethylethanamine. With the CAS registry number 3616-57-7, it is also named as 2,2-Diethoxytriethylamine. Besides, it is clear yellow to brown liquid, which should be stored in sealed, cool and dry storehouse. This chemical is soluble in water. In addition, its molecular formula is C10H23NO2 and molecular weight is 189.30.

The other characteristics of Diethylaminoacetaldehyde diethyl acetal can be summarized as: (1)EINECS: 222-801-6; (2)ACD/LogP: 1.01; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -2.08; (5)ACD/LogD (pH 7.4): -1.62; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 3; (11)H bond donors: 0; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 21.7 Å2; (14)Index of Refraction: 1.432; (15)Molar Refractivity: 55.54 cm3; (16)Molar Volume: 213.9 cm3; (17)Polarizability: 22.02×10-24cm3; (18)Surface Tension: 28 dyne/cm; (19)Density: 0.884 g/cm3; (20)Flash Point: 65 °C; (21)Enthalpy of Vaporization: 43.07 kJ/mol; (22)Boiling Point: 194.5 °C at 760 mmHg; (23)Vapour Pressure: 0.44 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: Diethylaminoacetaldehyde diethyl acetal is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(CC)C(OCC)CN(CC)CC
(2)InChI:InChI=1/C10H23NO2/c1-5-11(6-2)9-10(12-7-3)13-8-4/h10H,5-9H2,1-4H3
(3)InChIKey:HNFUIXOBWCFVAJ-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C10H23NO2/c1-5-11(6-2)9-10(12-7-3)13-8-4/h10H,5-9H2,1-4H3
(5)Std. InChIKey:HNFUIXOBWCFVAJ-UHFFFAOYSA-N

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