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N, N-Di-Boc-Piperazine

CAT: 1596-AR-P31779-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31779-01Size:10 Units
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CAS Number
76535-75-6
Synonyms
Di-tert-butyl piperazine-1,4-dicarboxylate
Molecular Formula
C14H26N2O4
Molecular Weight
286.37
API Name
Piperazine

Chemical Information

1,4-Bis(1,1-dimethylethyl) 1,4-piperazinedicarboxylate
CAS Number76535-75-6
PubChem CID545824
IUPAC Nameditert-butyl piperazine-1,4-dicarboxylate
Molecular FormulaC14H26N2O4
Molecular Weight286.37
XLogP1.8
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity324
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
InChIKey
YROXEBCFDJQGOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Bis(1,1-dimethylethyl) 1,4-piperazinedicarboxylate
CAS: 76535-75-6
CID: 545824
Formula: C14H26N2O4
MW: 286.37
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.37
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass286.18925731
Monoisotopic Mass286.18925731
Topological Polar Surface Area59.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-503912N-Boc-piperazine-13C4
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