4-Cbz-1-methyl-2-piperazinone

HCID 58638540
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Basic information

CAS
685520-31-4
Standard SMILES
CN1CCN(C(=O)OCc2ccccc2)CC1=O
InChIKey
DFPKDZCTRBMEPV-UHFFFAOYSA-N
Molecular formula
C13H16N2O3
Average molar mass
248.28 g/mol
Monoisotopic mass
248.11609237

Names & identifiers

Preferred name
4-Cbz-1-methyl-2-piperazinone
IUPAC
benzyl 4-methyl-3-oxopiperazine-1-carboxylate
English name
4-Cbz-1-methyl-2-piperazinone
Molecular formula
C13H16N2O3
Molecular weight
248.28

Names & synonyms

4-Cbz-1-methyl-2-piperazinone685520-31-4benzyl 4-methyl-3-oxopiperazine-1-carboxylateMFCD28122814SCHEMBL955547DTXSID50729577DFPKDZCTRBMEPV-UHFFFAOYSA-NAC6621AKOS027256999SY028436DB-2531594-Benzyloxycarbonyl-1-methylpiperazin-2-one
Show more names
1-Piperazinecarboxylic acid, 4-methyl-3-oxo-, phenylmethyl ester
CS-0454922Benzyl 4-methyl-3-oxo-1-piperazinecarboxylate4-Methyl-3-oxo-piperazine-1-carboxylic acid benzyl ester

Database identifiers

CAS
685520-31-4
PubChem CID
58638540
DTXSID
DTXSID50729577

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
49.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Physicochemical properties

Boiling point
426.7 · 426.7±45.0 °C(Predicted)
Density
1.22 · 1.220±0.06 g/cm3(Predicted)
pka
-0.78 · -0.78±0.20(Predicted)
HS Code
2933599590 · 2933599590

Safety & regulation

Safety data

hs_code
2933599590

Chemistry & industry

Suppliers1 total

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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CAS 685520-31-4 4-Cbz-1-methyl-2-piperazinone (HCID 58638540)｜Huagongshe