(2R,5S)-1-Benzyl-2,5-dimethylpiperazine supplier

Name
(2R,5S)-1-Benzyl-2,5-dimethylpiperazine
EINECS
CAS No. 216532-43-3
Article Data8
CAS DataBase
Density 0.964 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₀N₂
Boiling Point 291.506 °C at 760 mmHg
Molecular Weight 204.315
Flash Point 109.461 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms piperazine, 2,5-dimethyl-1-(phenylmethyl)-, (2R,5S)-;LogP
PSA 15.27000
LogP 2.13550

(2R,5S)-1-Benzyl-2,5-dimethylpiperazine 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

Product Name

(2R,5S)-1-Benzyl-2,5-dimethylpiperazine

(2R,5S)-1-Benzyl-2,5-dimethylpiperazine Specification

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