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| CAS No.: | 69478-77-9 |
|---|---|
| Name: | 3-(DIMETHYLAMINO)PYRROLIDINE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C13H20N2 |
| Molecular Weight: | 204.315 |
| Synonyms: | 1-Benzyl-N,N-dimethylpyrrolidin-3-amine;1-Benzyl-3-(dimethylamino)pyrrolidine; |
| Density: | 1.021 g/cm3 |
| Boiling Point: | 279.126 °C at 760 mmHg |
| Flash Point: | 113.713 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 6.48000 |
| LogP: | 1.76040 |
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- Total:24 Page 1 of 1 1
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Specification
The CAS register number of 3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)- is 69478-77-9. It also can be called as 1-Benzyl-3-(dimethylamino)pyrrolidine and the IUPAC name about this chemical is 1-benzyl-N,N-dimethylpyrrolidin-3-amine. The molecular formula about this chemical is C13H20N2 and the molecular weight is 204.31. It belongs to the following product categories which include 3-Aminopyrrolidines; 3-Aminopyrrolidines (Racemic) and so on.
Physical properties about 3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)- are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 6.48Å2; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 64.861 cm3; (12)Molar Volume: 200.068 cm3; (13)Polarizability: 25.713x10-24cm3; (14)Surface Tension: 40.663 dyne/cm; (15)Enthalpy of Vaporization: 51.779 kJ/mol; (16)Boiling Point: 279.126 °C at 760 mmHg; (17)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1)CN2CCC(N(C)C)C2
(2)InChI: InChI=1/C13H20N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
(3)InChIKey: SOTUMZCQANFRAM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H20N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
(5)Std. InChIKey: SOTUMZCQANFRAM-UHFFFAOYSA-N