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502649-29-8

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Basic Information
CAS No.: 502649-29-8
Name: 1-Boc-3-Benzylpiperazine
Article Data: 2
Molecular Structure:
Molecular Structure of 502649-29-8 (1-Boc-3-Benzylpiperazine)
Formula: C16H24 N2 O2
Molecular Weight: 276.379
Synonyms: 3-Benzylpiperazine-1-carboxylicacid tert-butyl ester; tert-Butyl 3-benzylpiperazine-1-carboxylate
Density: 1.066g/cm3
Boiling Point: 379.8oC at 760 mmHg
Flash Point: 183.5oC
PSA: 41.57000
LogP: 2.70470
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Chemistry


IUPAC Name: Tert-butyl 4-benzylpiperazine-1-carboxylate
Molecular Formula: C16H24N2O2
Molecular Weight: 276.37 g/mol
Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2
InChI: InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
Mol File: 502649-29-8.mol
Product Categories: Piperazine series; Piperaizine
XLogP3-AA: 2.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 276.183778
MonoIsotopic Mass: 276.183778
Topological Polar Surface Area: 32.8
Heavy Atom Count: 20
Complexity: 311
Index of Refraction: 1.524
Molar Refractivity: 79.34 cm3
Molar Volume: 259 cm3
Polarizability: 31.45×10-24cm3
Surface Tension: 39.4 dyne/cm
Density: 1.066 g/cm3
Flash Point: 183.5 °C
Enthalpy of Vaporization: 62.79 kJ/mol
Boiling Point: 379.8 °C at 760 mmHg
Vapour Pressure of 1-Boc-3-Benzylpiperazine (CAS NO.502649-29-8): 5.7E-06 mmHg at 25 °C  

Specification

 1-Boc-3-Benzylpiperazine (CAS NO.502649-29-8), its Synonyms are 3-Benzyl-piperazine-1-carboxylic acid tert-butyl ester ; N-1-boc-3-benzyl-piperazine ; 1-N-Boc-3-benzylpiperazine ; 1-Boc-3-benzyl-piperazine ; N-1-boc-3-benzyl piperizine ; 1-N-Boc-3-benzylpiperizine ; N-1-Boc-3-benzyl ; N-Boc-3-benzylpiperazine .