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1240618-27-2 molecular structure
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(2R,6S)-2,6-diethylpiperazine

ChemBase ID: 806125
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
[C@H]1(CNC[C@@H](N1)CC)CC
Canonical SMILES:
CC[C@@H]1CNC[C@@H](N1)CC
InChI:
InChI=1S/C8H18N2/c1-3-7-5-9-6-8(4-2)10-7/h7-10H,3-6H2,1-2H3/t7-,8+
InChIKey:
WOTDHTQZNQMLIS-OCAPTIKFSA-N

Cite this record

CBID:806125 http://www.chembase.cn/molecule-806125.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,6S)-2,6-diethylpiperazine
IUPAC Traditional name
(2R,6S)-2,6-diethylpiperazine
Synonyms
(2R,6S)-2,6-DIETHYL-PIPERAZINE
CAS Number
1240618-27-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O23431 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O23431 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 43.3344 cm3 Polarizability 17.811394 Å3
Polar Surface Area 24.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -2.3980448 
LogD (pH = 7.4) -1.282214  Log P 1.149388 

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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