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500013-39-8

Basic Information
CAS No.: 500013-39-8
Name: TERT-BUTYL 4-[3-(HYDROXYMETHYL)BENZYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
Molecular Structure:
Molecular Structure of 500013-39-8 (TERT-BUTYL 4-[3-(HYDROXYMETHYL)BENZYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE)
Formula: C17H26N2O3
Molecular Weight: 306.405
Synonyms: Tert-butyl 4-[3-(hydroxymethyl)benzyl]piperazine-1-carboxylate;
Density: 1.143 g/cm3
Boiling Point: 426.7 °C at 760 mmHg
Flash Point: 211.8 °C
Hazard Symbols: CorrosiveC
PSA: 53.01000
LogP: 2.10740
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  • 1-Piperazinecarboxylicacid, 4-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester

  • Casno:

    500013-39-8

    1-Piperazinecarboxylicacid, 4-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester

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  • 2,4-Difluoro-N-methylaniline 97%

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    500013-39-8

    2,4-Difluoro-N-methylaniline 97%

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    high qualityAppearance:white crystalline powder Storage:Sealed, dry, microtherm , avoid light and smell. Package:According to the demand of customer Application:Organic synthesis Transportation:by air or by sea

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  • tert-Butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate, 95%

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    500013-39-8

    tert-Butyl 4-[3-(hydroxymethyl)benzyl]tetrahydro-1(2H)-pyrazinecarboxylate, 95%

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Specification

The 1-Piperazinecarboxylicacid, 4-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester, with the CAS registry number 500013-39-8, is also known as Tert-butyl 4-[3-(hydroxymethyl)benzyl]piperazine-1-carboxylate. This chemical's molecular formula is C17H26N2O3 and molecular weight is 306.3999. What's more, it should be stored in condition of dry and cold. When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact.

Physical properties about 1-Piperazinecarboxylicacid, 4-[[3-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 3.16; (6)ACD/BCF (pH 7.4): 5.68; (7)ACD/KOC (pH 5.5): 67; (8)ACD/KOC (pH 7.4): 120.26; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 42.01 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 86.01 cm3; (15)Molar Volume: 267.8 cm3; (16)Polarizability: 34.09×10-24 cm3; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.143 g/cm3; (19)Flash Point: 211.8 °C; (20)Enthalpy of Vaporization: 71.84 kJ/mol; (21)Boiling Point: 426.7 °C at 760 mmHg; (22)Vapour Pressure: 4.86E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2CCN(Cc1cc(ccc1)CO)CC2
(2) InChI: InChI=1/C17H26N2O3/c1-17(2,3)22-16(21)19-9-7-18(8-10-19)12-14-5-4-6-15(11-14)13-20/h4-6,11,20H,7-10,12-13H2,1-3H3
(3) InChIKey: SVXAVOKCPICEEL-UHFFFAOYAW