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CAS No.: | 3378-71-0 |
---|---|
Name: | 2,5-Dimethylpyrrolidine |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C6H13N |
Molecular Weight: | 99.1759 |
Synonyms: | Pyrrolidine, 2,5-dimethyl-; |
EINECS: | 222-178-0 |
Density: | 0.795 g/cm3 |
Boiling Point: | 106.5 °C at 760 mmHg |
Flash Point: | 7.2 °C |
Appearance: | Clear colorless to pale yellow liquid |
Hazard Symbols: | F,Xi,C |
Risk Codes: | 11-36/37/38-34 |
Safety: | 16-26-36/37/39-45 |
Transport Information: | UN 1993 |
PSA: | 35.53000 |
LogP: | 1.44520 |
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The 2,5-Dimethylpyrrolidine, with the CAS registry number 3378-71-0, is also known as Pyrrolidine, 2,5-dimethyl-. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks and Pyrrolidines. Its EINECS registry number is 222-178-0. This chemical's molecular formula is C6H13N and molecular weight is 99.17. What's more, both its IUPAC name and systematic name are the same which is called 2,5-Dimethylpyrrolidine. In addition, it is clear colorless to pale yellow liquid.
Physical properties about this chemical are: (1) ACD/LogP: 1.35; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.75l; (4) ACD/LogD (pH 7.4): -1.7; (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: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 3.24 Å2; (13) Index of Refraction: 1.414; (14) Molar Refractivity: 31.21 cm3; (15) Molar Volume: 124.7 cm3; (16) Surface Tension: 22.4 dyne/cm; (17) Density: 0.795 g/cm3; (18) Flash Point: 7.2 °C; (19) Enthalpy of Vaporization: 34.54 kJ/mol; (20) Boiling Point: 106.5 °C at 760 mmHg; (21) Vapour Pressure: 28.2 mmHg at 25 °C.
Preparation of 2,5-Dimethylpyrrolidine: this chemical is prepared by reaction of Hexane-2,5-dione.
This reaction needs reagent NH4OAc, KOH, NaCNBH3 at ambient temperature. The yield is 62%.
Uses of 2,5-Dimethylpyrrolidine: it is used to produce other chemicals. For example, it is used to produce C13H26N2.
The reaction occurs with reagent Benzene and the yield is 60%.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. This chemical is highly flammable that may catch fire in contact with air, only need brief contact with an ignition source, have a very low flash point or evolve highly flammable gases in contact with water. In addition, this chemical is corrosive that may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, you must keep away from sources of ignition and smoking in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: N1C(C)CCC1C
(2) InChI: InChI=1/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3
(3) InChIKey: ZEBFPAXSQXIPNF-UHFFFAOYAQ