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24779-49-5

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Basic Information
CAS No.: 24779-49-5
Name: trans-1,2,5-Trimethylpiperazine
Molecular Structure:
Molecular Structure of 24779-49-5 (trans-1,2,5-Trimethylpiperazine)
Formula: C7H16N2
Molecular Weight: 128.217
Synonyms: LogP
Density: 0.835 g/cm3
Boiling Point: 157.9 °C at 760 mmHg
Flash Point: 44 °C
PSA: 15.27000
LogP: 0.56510
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Specification

The trans-1,2,5-Trimethylpiperazine is an organic compound with the formula C7H16N2. With the CAS registry number 24779-49-5, the systematic name of this chemical is (2R,5S)-1,2,5-trimethylpiperazine.

Physical properties about trans-1,2,5-Trimethylpiperazine are: (1)ACD/LogP: 0.80; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)Polar Surface Area: 15.27 Å2; (9)Index of Refraction: 1.427; (10)Molar Refractivity: 39.48 cm3; (11)Molar Volume: 153.5 cm3; (12)Polarizability: 15.65×10-24cm3; (13)Surface Tension: 21.6 dyne/cm; (14)Density: 0.835 g/cm3; (15)Flash Point: 44 °C; (16)Enthalpy of Vaporization: 39.46 kJ/mol; (17)Boiling Point: 157.9 °C at 760 mmHg; (18)Vapour Pressure: 2.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H]1CN[C@H](CN1C)C
(2)InChI: InChI=1/C7H16N2/c1-6-5-9(3)7(2)4-8-6/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
(3)InChIKey: CDHYSFKPWCVXHZ-NKWVEPMBBM
(4)Std. InChI: InChI=1S/C7H16N2/c1-6-5-9(3)7(2)4-8-6/h6-8H,4-5H2,1-3H3/t6-,7+/m0/s1
(5)Std. InChIKey: CDHYSFKPWCVXHZ-NKWVEPMBSA-N