Name: N-1-BOC-N-4-CBZ-2-PIPERAZINE CARBOXYLIC ACID
SKU: 149057-19-2

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Basic Information

Molecular Structure:
CAS No.:	149057-19-2
Name:	N-1-BOC-N-4-CBZ-2-PIPERAZINE CARBOXYLIC ACID
Article Data:	8

Formula:	C₁₈H₂₄N₂O₆
Molecular Weight:	364.398
Synonyms:	1,2,4-Piperazinetricarboxylicacid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester, (?à)-;4-(Benzyloxycarbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid;
Density:	1.273 g/cm³
Boiling Point:	518.912 °C at 760 mmHg
Flash Point:	267.629 °C
PSA:	96.38000
LogP:	2.20490

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Specification

The 1,2,4-Piperazinetricarboxylicacid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester is an organic compound with the formula C₁₈H₂₄N₂O₆. The systematic name of this chemical is 4-[(Benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid. With the CAS registry number 149057-19-2, it is also named as 1-[(Tert-butyl)oxycarbonyl]-4-[benzyloxycarbonyl]piperazine-2-carboxylic acid. Besides, its molecular weight is 364.39.

Physical properties about 1,2,4-Piperazinetricarboxylicacid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 0.27; (3)ACD/LogD (pH 7.4): -1.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.37; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 85.38 Å²; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 91.93 cm³; (14)Molar Volume: 286.3 cm³; (15)Polarizability: 36.44×10^-24 cm³; (16)Surface Tension: 53.6 dyne/cm; (17)Density: 1.272 g/cm³; (18)Flash Point: 267.6 °C; (19)Enthalpy of Vaporization: 83.33 kJ/mol; (20)Boiling Point: 518.9 °C at 760 mmHg; (21)Vapour Pressure: 1.36E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)
(2)InChIKey: SREPAMKILVVDSP-UHFFFAOYAA
(3)Std. InChI: InChI=1S/C18H24N2O6/c1-18(2,3)26-17(24)20-10-9-19(11-14(20)15(21)22)16(23)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)
(4)Std. InChIKey: SREPAMKILVVDSP-UHFFFAOYSA-N