CAS No.3616-57-7,2,2-Diethoxytriethylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3616-57-7
Name:	2,2-Diethoxytriethylamine
Article Data:	8

Formula:	C₁₀H₂₃NO₂
Molecular Weight:	189.298
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;
EINECS:	222-801-6
Density:	0.884 g/cm³
Boiling Point:	194.5 ºCat 760 mmHg
Flash Point:	65 ºC
Solubility:	Very soluble in water
Appearance:	clear yellow to brown liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-37/39
PSA:	21.70000
LogP:	1.72730

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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