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| CAS No.: | 6343-47-1 |
|---|---|
| Name: | 3-DIETHYLAMINO-2,2-DIMETHYL-PROPIONALDEHYDE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H19NO |
| Molecular Weight: | 157.256 |
| Synonyms: | alpha-Dimethyl-beta-diethylaminopropionaldehyde;3-(Diethylamino)-2,2-dimethylpropionaldehyde;Propionaldehyde, 3-(diethylamino)-2,2-dimethyl-; |
| Density: | 0.865 g/cm3 |
| Boiling Point: | 196.3 °C at 760 mmHg |
| Flash Point: | 49.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 20.31000 |
| LogP: | 1.55330 |
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- Total:14 Page 1 of 1 1
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Specification
The Propanal,3-(diethylamino)-2,2-dimethyl-, with the CAS registry number 6343-47-1, is also known as alpha-Dimethyl-beta-diethylaminopropionaldehyde. This chemical's molecular formula is C9H19NO and molecular weight is 157.25. What's more, its IUPAC name is 3-(diethylamino)-2,2-dimethylpropanal. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of Propanal,3-(diethylamino)-2,2-dimethyl- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.3; (4)ACD/LogD (pH 7.4): -0.4; (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): 1.49; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 47.61 cm3; (15)Molar Volume: 181.7 cm3; (16)Polarizability: 18.87×10-24cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.865 g/cm3; (19)Flash Point: 49.6 °C; (20)Enthalpy of Vaporization: 43.25 kJ/mol; (21)Boiling Point: 196.3 °C at 760 mmHg; (22)Vapour Pressure: 0.401 mmHg at 25°C.
Preparation: this chemical can be prepared by diethylamine, isobutyraldehyde and dibromomethane at the temperature of 20-55°C. This reaction will need solvent CH2Cl2 with the reaction time of 1.6 hours. The yield is about 65%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(C)(C)CN(CC)CC
(2)Std. InChI: InChI=1S/C9H19NO/c1-5-10(6-2)7-9(3,4)8-11/h8H,5-7H2,1-4H3
(3)Std. InChIKey: AAHIYAKUVPMLMX-UHFFFAOYSA-N