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1,4-Piperazinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester (128102-16-9)

Identification
Name:1,4-Piperazinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
Synonyms:(R)-2-Methylpiperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester
CAS:128102-16-9
Molecular Formula: C18H26N2O4
Molecular Weight: 334.41
InChI: InChI=1/C18H26N2O4/c1-14-12-19(10-11-20(14)17(22)24-18(2,3)4)16(21)23-13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1
Molecular Structure: (C18H26N2O4) (R)-2-Methylpiperazine-1,4-dicarboxylic acid 4-benzyl ester 1-tert-butyl ester
Properties
Density:1.137 g/cm3
Refractive index:1.527
Specification:

The (R)-1-Boc-4-Cbz-2-methylpiperazine is an organic compound with the formula C18H26N2O4. The systematic name of this chemical is O4-benzyl O1-tert-butyl (2R)-2-methylpiperazine-1,4-dicarboxylate. With the CAS registry number 128102-16-9, it is also named as 4-Benzyl 1-tert-butyl (2R)-2-methylpiperazine-1,4-dicarboxylate.

Physical properties about (R)-1-Boc-4-Cbz-2-methylpiperazine are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 2.79; (3)ACD/LogD (pH 7.4): 2.79; (4)#H bond acceptors: 6; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 59.08 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 90.54 cm3; (9)Molar Volume: 294 cm3; (10)Polarizability: 35.89×10-24cm3; (11)Surface Tension: 42.9 dyne/cm; (12)Density: 1.137 g/cm3; (13)Flash Point: 217.1 °C; (14)Enthalpy of Vaporization: 69.16 kJ/mol; (15)Boiling Point: 435.4 °C at 760 mmHg; (16)Vapour Pressure: 8.81E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN(C[C@H]1C)C(=O)OCc2ccccc2
(2)InChI: InChI=1/C18H26N2O4/c1-14-12-19(10-11-20(14)17(22)24-18(2,3)4)16(21)23-13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1
(3)InChIKey: KEFLVDKHKWYORF-CQSZACIVBR
(4)Std. InChI: InChI=1S/C18H26N2O4/c1-14-12-19(10-11-20(14)17(22)24-18(2,3)4)16(21)23-13-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3/t14-/m1/s1
(5)Std. InChIKey: KEFLVDKHKWYORF-CQSZACIVSA-N

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