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| CAS No.: | 69478-75-7 |
|---|---|
| Name: | 3-(DIMETHYLAMINO)PYRROLIDINE |
| Molecular Structure: | |
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| Formula: | C6H14N2 |
| Molecular Weight: | 114.191 |
| Synonyms: | 3-Dimethylaminopyrrolidine;Dimethyl(pyrrolidin-3-yl)amine;N,N-Dimethyl(pyrrolidin-3-yl)amine;N,N-Dimethyl-3-pyrrolidinamine; |
| Density: | 0.92 g/cm3 |
| Boiling Point: | 157.6 °C at 760 mmHg |
| Flash Point: | 54.5 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 10-34 |
| Safety: | 26-36/37/39 |
| PSA: | 15.27000 |
| LogP: | 0.23870 |
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Specification
The 3-(Dimethylamino)pyrrolidine, with CAS registry number 69478-75-7, belongs to the following product categories: (1)3-Aminopyrrolidines; (2)3-Aminopyrrolidines (Racemic). It has the systematic name of N,N-dimethylpyrrolidin-3-amine. And the chemical formula of this chemical is C6H14N2.
Physical properties of 3-(Dimethylamino)pyrrolidine: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.47; (4)ACD/LogD (pH 7.4): -3.36; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 35.28 cm3; (15)Molar Volume: 124 cm3; (16)Polarizability: 13.98×10-24cm3; (17)Surface Tension: 31.2 dyne/cm; (18)Enthalpy of Vaporization: 39.43 kJ/mol; (19)Vapour Pressure: 2.73 mmHg at 25°C.
Uses of 3-(Dimethylamino)pyrrolidine: it can be used to produce 7-(3-dimethylamino-pyrrolidin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid. This reaction will need reagent Et3N. The temperature of this reaction is 100 - 110 ℃. The yield is about 84%.
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When you are using this chemical, please be cautious about it as the following:
The 3-(Dimethylamino)pyrrolidine is flammable, and it may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N(C)(C)C1CCNC1
(2)InChI: InChI=1/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3
(3)InChIKey: AVAWMINJNRAQFS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H14N2/c1-8(2)6-3-4-7-5-6/h6-7H,3-5H2,1-2H3
(5)Std. InChIKey: AVAWMINJNRAQFS-UHFFFAOYSA-N