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438050-07-8 molecular structure
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(2R)-2-ethylpiperazine

ChemBase ID: 168744
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
C1NC[C@H](NC1)CC
Canonical SMILES:
CC[C@@H]1CNCCN1
InChI:
InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3/t6-/m1/s1
InChIKey:
DXOHZOPKNFZZAD-ZCFIWIBFSA-N

Cite this record

CBID:168744 http://www.chembase.cn/molecule-168744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-ethylpiperazine
IUPAC Traditional name
(2R)-2-ethylpiperazine
Synonyms
(2R)-2-Ethylpiperazine dihydrochloride
(R)-2-Ethylpiperazine Dihydrochloride
CAS Number
438050-07-8
PubChem SID
162262876
PubChem CID
11412361

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E925610 external link Add to cart
PubChem 11412361 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 11412361 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2233167  LogD (pH = 7.4) -2.0540442 
Log P 0.2102906  Molar Refractivity 34.3916 cm3
Polarizability 14.118806 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E925610 external link
A piperazine derivative used in the preparation of compounds for treating disorders associated with the 5-HT2 receptor as well as being a versatile building block for other pharmaceutical compounds.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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