1-Piperazinecarboxylicacid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester supplier

Name
TERT-BUTYL 4-[4-(HYDROXYMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
EINECS
CAS No. 158985-37-6
Article Data5
CAS DataBase
Density 1.152 g/cm³
Solubility
Melting Point 109 °C
Formula C₁₆H₂₄N₂O₃
Boiling Point 452 °C at 760 mmHg
Molecular Weight 292.378
Flash Point 227.2 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Harmful/Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms BUTTPARK 98\06-99;[4-(4-TERT-BUTOXYCARBONYL)PIPERAZINE]BENZYL ALCOHOL;1-(4-HYDROXYMETHYL-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL 4-[4-(HYDROXYMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE;4-(4-N-Boc-piperazinyl)benzyl alcohol;tert-butyl 4-(4-(hydroxymethyl)phenyl)piperazine-1-carboxylate;4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzyl alcohol;4-[4-(Hydroxymethyl)phenyl]piperazine, N1-BOC protected, tert-Butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate
PSA 53.01000
LogP 2.23890

1-Piperazinecarboxylicacid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester Specification

The 1-Piperazinecarboxylicacid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester is an organic compound with the formula C₁₆H₂₄N₂O₃. The systematic name of this chemical is Tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate. With the CAS registry number 158985-37-6, it is also named as 4-(4-N-Boc-piperazinyl)benzyl alcohol. Besides, its molecular weight is 292.37.

Physical properties about 1-Piperazinecarboxylicacid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 0.82; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 2.13; (5)ACD/BCF (pH 7.4): 3.81; (6)ACD/KOC (pH 5.5): 50.64; (7)ACD/KOC (pH 7.4): 90.44; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 42.01 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 81.29 cm³; (14)Molar Volume: 253.7 cm³; (15)Polarizability: 32.22×10^-24 cm³; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.152 g/cm³; (18)Flash Point: 227.2 °C; (19)Enthalpy of Vaporization: 74.94 kJ/mol; (20)Boiling Point: 452 °C at 760 mmHg; (21)Vapour Pressure: 5.86E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H24N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,19H,8-12H2,1-3H3
(2)InChIKey: PXKYXTXYWJKTSQ-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,19H,8-12H2,1-3H3
(4)Std. InChIKey: PXKYXTXYWJKTSQ-UHFFFAOYSA-N

Product Name

TERT-BUTYL 4-[4-(HYDROXYMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

1-Piperazinecarboxylicacid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester Specification

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