Basic information
- Name:
N,N-Dimethylisopropylamine
- CAS No.:
996-35-0
- Molecular Structure:
- Formula:
- C5H13N
- Molecular Weight:
- 87.16
- Synonyms:
- Dimethylisopropylamine;
- EINECS:
- 213-635-5
- Density:
- 0.734 g/cm3
- Boiling Point:
- 65.8 °C at 760 mmHg
- Flash Point:
- -9 °C
- Hazard Symbols:
- Risk Codes:
- 11-34-51/53
- Safety Description:
- 16-26-29-36/37/39-45-61 Details
- Transport Information:
- UN 2733
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Specification
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 %.
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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