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CAS No.: | 996-35-0 |
---|---|
Name: | N,N-Dimethylisopropylamine |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C5H13N |
Molecular Weight: | 87.1649 |
Synonyms: | Dimethylisopropylamine; |
EINECS: | 213-635-5 |
Density: | 0.734 g/cm3 |
Melting Point: | -115.88°C (estimate) |
Boiling Point: | 65.8 °C at 760 mmHg |
Flash Point: | -9 °C |
Solubility: | 100g/L at 25℃ |
Appearance: | Clear liquid |
Hazard Symbols: | |
Risk Codes: | 11-34-51/53 |
Safety: | 16-26-29-36/37/39-45-61 |
Transport Information: | UN 2733 |
PSA: | 3.24000 |
LogP: | 0.95640 |
Conditions | Yield |
---|---|
With hydrogen; ZrO2-containing catalyst at 80 - 170℃; under 150015 Torr; | 99% |
With water; hydrogen; platinum at 25℃; under 2280 Torr; Ueberdruck; |
methyl magnesium iodide
α-(dimethylamino)-propionitrile
A
N,N-dimethylisopropyl amine
B
3-(dimethylamino)-2-butanone
Conditions | Yield |
---|---|
With diethyl ether | |
reagiert analog mit Aethylmagnesiumbromid; mit Propylmagnesiumbromid und mit Cyclohexylmagnesiumchlorid nur die entspr.Ketone erhalten werden; |
Conditions | Yield |
---|---|
at 135℃; |
N,N,N-Trimethylisopropylammonium iodide
ethanolamine
A
N,N-dimethylisopropyl amine
B
trimethylamine
Conditions | Yield |
---|---|
at 154℃; Rate constant; |
Conditions | Yield |
---|---|
With formic acid; water | |
With formic acid | |
With formic acid |
methyl magnesium iodide
N1,N1-dimethyl-N2-phenylformamidine
N,N-dimethylisopropyl amine
Conditions | Yield |
---|---|
(i) AcCl, (ii) /BRN= 1209226/; Multistep reaction; |
Conditions | Yield |
---|---|
With ethyllithium at 150℃; |
1,3,5-Triisopropyl-1,3,5-triazacyclohexane
mono-trimethylsilylphosphite
A
N,N-dimethylisopropyl amine
B
N-methylpropan-2-amine
2-(tert-Butylazo)-2(dimethylamino)propane
A
N,N-dimethylisopropyl amine
B
Isobutane
C
Acetone N,N-dimethylenamine
D
2-Dimethylamino-4-methyl-pentadien-(1,3)
E
dimethyl amine
F
acetone
Conditions | Yield |
---|---|
In benzene-d6 Mechanism; Product distribution; Heating; |
2-(tert-Butylazo)-2(dimethylamino)propane
A
N,N-dimethylisopropyl amine
B
Isobutane
C
acetone tert-butylhydrazone
D
1,2-di-tert-butylhydrazine
E
dimethyl amine
F
acetone
Conditions | Yield |
---|---|
In [D3]acetonitrile Mechanism; Product distribution; Heating; solvent wet or dried; |
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The N,N-Dimethylisopropylamine, with the CAS registry number of 996-35-0, is also known as Dimethylisopropylamine. It belongs to the product categories of Amines; C2 to C6; Nitrogen Compounds. Its EINECS registry number is 213-635-5. This chemical's molecular formula is C5H13N and molecular weight is 87.16. What's more, both its systematic name and IUPAC name are the same which is called N,N-Dimethylpropan-2-amine. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the N,N-Dimethylisopropylamine are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.14; (4)ACD/LogD (pH 7.4): -1.47; (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; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 28.89 cm3; (15)Molar Volume: 118.6 cm3; (16)Surface Tension: 21 dyne/cm; (17)Density: 0.734 g/cm3; (18)Enthalpy of Vaporization: 30.78 kJ/mol; (19)Boiling Point: 65.8 °C at 760 mmHg; (20)Vapour Pressure: 155 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce Isopropyl-methyl-pyrimidin-2-yl-amine and Dimethyl-pyrimidin-2-yl-amine. This reaction needs reagent 2-Chloro-pyrimidine and solvent Tetrahydrofuran. Other condition of this reaction is reaction time of 4 days at 100°C. The yield is about 90 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is highly flammable, toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection. Besides, it may causes burns and you should avoid release it to the environment or empty into drains.
You can still convert the following datas into molecular structure:
(1) SMILES:N(C(C)C)(C)C
(2) InChI:InChI=1/C5H13N/c1-5(2)6(3)4/h5H,1-4H3
(3) InChIKey:VMOWKUTXPNPTEN-UHFFFAOYAZ