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CAS No.: | 15451-14-6 |
---|---|
Name: | 3-DIMETHYLAMINO-2,2-DIMETHYLPROPIONALDEHYDE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H15NO |
Molecular Weight: | 129.202 |
Synonyms: | 2,2-Dimethyl-3-(dimethylamino)-propionaldehyde;3-Dimethylamino-2,2-dimethylpropionaldehyde;3-(Dimethylamino)-2,2-dimethylpropanal; |
EINECS: | 239-468-8 |
Density: | 0.868 g/cm3 |
Boiling Point: | 151.1 °C at 760 mmHg |
Flash Point: | 34.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 20.31000 |
LogP: | 0.77310 |
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The Propanal,3-(dimethylamino)-2,2-dimethyl-, with the CAS registry number 15451-14-6, is also known as 2,2-Dimethyl-3-(dimethylamino)-propionaldehyde. Its EINECS number is 239-468-8. This chemical's molecular formula is C7H15NO and molecular weight is 129.20. What's more, its IUPAC name is 3-(dimethylamino)-2,2-dimethylpropanal.
Physical properties of Propanal,3-(dimethylamino)-2,2-dimethyl- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.14; (4)ACD/LogD (pH 7.4): -0.6; (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): 2.91; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 38.35 cm3; (15)Molar Volume: 148.7 cm3; (16)Polarizability: 15.2×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.868 g/cm3; (19)Flash Point: 34.2 °C; (20)Enthalpy of Vaporization: 38.8 kJ/mol; (21)Boiling Point: 151.1 °C at 760 mmHg; (22)Vapour Pressure: 3.72 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(C)(C)CN(C)C
(2)Std. InChI: InChI=1S/C7H15NO/c1-7(2,6-9)5-8(3)4/h6H,5H2,1-4H3
(3)Std. InChIKey: NYUOVICEZDPRBR-UHFFFAOYSA-N