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162103803 molecular structure
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tert-butyl 4-[(hydrazinecarbonyl)methyl]piperazine-1-carboxylate

ChemBase ID: 71949
Molecular Formular: C11H22N4O3
Molecular Mass: 258.31738
Monoisotopic Mass: 258.16919058
SMILES and InChIs

SMILES:
C1N(CCN(C1)CC(=O)NN)C(=O)OC(C)(C)C
Canonical SMILES:
NNC(=O)CN1CCN(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H22N4O3/c1-11(2,3)18-10(17)15-6-4-14(5-7-15)8-9(16)13-12/h4-8,12H2,1-3H3,(H,13,16)
InChIKey:
NCLOSKBJSQUTTQ-UHFFFAOYSA-N

Cite this record

CBID:71949 http://www.chembase.cn/molecule-71949.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-[(hydrazinecarbonyl)methyl]piperazine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-[(hydrazinecarbonyl)methyl]piperazine-1-carboxylate
Synonyms
tert-Butyl 4-(2-hydrazino-2-oxoethyl)-piperazine-1-carboxylate
PubChem SID
162103803
PubChem CID
56763774

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 56763774 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.159574  H Acceptors
H Donor LogD (pH = 5.5) -0.94127697 
LogD (pH = 7.4) -0.69231975  Log P -0.68800086 
Molar Refractivity 68.1295 cm3 Polarizability 26.381994 Å3
Polar Surface Area 87.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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