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325145-35-5 molecular structure
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tert-butyl (2S)-2-ethylpiperazine-1-carboxylate

ChemBase ID: 63845
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
C(=O)(N1[C@H](CNCC1)CC)OC(C)(C)C
Canonical SMILES:
CC[C@H]1CNCCN1C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H22N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKey:
CTCGRXDGXGUOTE-VIFPVBQESA-N

Cite this record

CBID:63845 http://www.chembase.cn/molecule-63845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
IUPAC Traditional name
tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
Synonyms
(S)-tert-Butyl 2-ethylpiperazine-1-carboxylate
(S)-1-Boc-2-Ethylpiperazine
CAS Number
325145-35-5
MDL Number
MFCD07772100
PubChem SID
162029584
PubChem CID
17750462

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17750462 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8841024  LogD (pH = 7.4) 0.84462816 
Log P 1.4934837  Molar Refractivity 59.3867 cm3
Polarizability 23.692034 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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