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

ChemBase ID: 813357
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
[C@H]1(CNCCN1C(=O)OC(C)(C)C)CC
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-/m1/s1
InChIKey:
CTCGRXDGXGUOTE-SECBINFHSA-N

Cite this record

CBID:813357 http://www.chembase.cn/molecule-813357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2R)-2-ethylpiperazine-1-carboxylate
IUPAC Traditional name
tert-butyl (2R)-2-ethylpiperazine-1-carboxylate
Synonyms
(R)-1-BOC-2-ETHYL-PIPERAZINE
CAS Number
325145-35-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34760 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34760 external link Add to cart Please log in.
Data Source Data ID

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

Product Information Bioassay(PubChem)
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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