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| CAS No.: | 216532-43-3 |
|---|---|
| Name: | (2R,5S)-1-Benzyl-2,5-dimethylpiperazine |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C13H20N2 |
| Molecular Weight: | 204.315 |
| Synonyms: | piperazine, 2,5-dimethyl-1-(phenylmethyl)-, (2R,5S)-;LogP |
| Density: | 0.964 g/cm3 |
| Boiling Point: | 291.506 °C at 760 mmHg |
| Flash Point: | 109.461 °C |
| PSA: | 15.27000 |
| LogP: | 2.13550 |
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Specification
This chemical is called (2R,5S)-1-Benzyl-2,5-dimethylpiperazine, and it can also be named as piperazine, 2,5-dimethyl-1-(phenylmethyl)-, (2R,5S)-. With the molecular formula of C13H20N2, its molecular weight is 204.31. The CAS registry number of this chemical is 216532-43-3.
Other characteristics of the (2R,5S)-1-Benzyl-2,5-dimethylpiperazine can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 15.27 Å2; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 63.944 cm3; (14)Molar Volume: 211.834 cm3; (15)Polarizability: 25.349×10-24cm3; (16)Surface Tension: 32.325 dyne/cm; (17)Density: 0.964 g/cm3; (18)Flash Point: 109.461 °C; (19)Enthalpy of Vaporization: 53.095 kJ/mol; (20)Boiling Point: 291.506 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(cccc1)CN2[C@@H](CN[C@H](C2)C)C
2.InChI: InChI=1/C13H20N2/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12+/m0/s1
3.InChIKey: WJTCHBVEUFDSIK-NWDGAFQWBW