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4-Boc-2-oxopiperazine

CAT: 0572-TRC-B658935-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B658935-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76003-29-7
Synonyms
1,1-Dimethylethyl 3-oxo-1-piperazinecarboxylate; 1-(tert-Butoxycarbonyl)piperazin-3-one; 1-Boc-3-oxo-piperazine; 1-tert-Butoxycarbonyl-3-oxopiperazine; 2-Oxo-4-(tert-butoxycarbonyl)piperazine; 3-Oxo-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester; 3-Oxopiperazine-1-carboxylic Acid tert-Butyl Ester; 3-Oxopiperazine-1-carboxylic Acid tert-Butyl Ester; 4-(tert-Butyloxycarbonyl)-2-piperazinone; 4-tert-Butoxycarbonylpiperazin-2-one; tert-Butyl 3-oxo-1-piperazinecarboxylate
Hazard Statement
No Data Available
Smiles
CC(C)(C)OC(=O)N1CCNC(=O)C1
Molecular Formula
C9H16N2O3
Molecular Weight
200.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tert-butyl 3-oxopiperazine-1-carboxylate
CAS Number76003-29-7
PubChem CID3157178
IUPAC Nametert-butyl 3-oxopiperazine-1-carboxylate
Molecular FormulaC9H16N2O3
Molecular Weight200.23
XLogP0.2
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity245
SMILES
CC(C)(C)OC(=O)N1CCNC(=O)C1
InChI
InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)
InChIKey
FCMLWBBLOASUSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 3-oxopiperazine-1-carboxylate
CAS: 76003-29-7
CID: 3157178
Formula: C9H16N2O3
MW: 200.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass200.11609238
Monoisotopic Mass200.11609238
Topological Polar Surface Area58.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity245
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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