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128427-05-4 molecular structure
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(2S)-2-ethylpiperazine

ChemBase ID: 807748
Molecular Formular: C6H14N2
Molecular Mass: 114.18876
Monoisotopic Mass: 114.11569846
SMILES and InChIs

SMILES:
[C@@H]1(CNCCN1)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-/m0/s1
InChIKey:
DXOHZOPKNFZZAD-LURJTMIESA-N

Cite this record

CBID:807748 http://www.chembase.cn/molecule-807748.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-ethylpiperazine
IUPAC Traditional name
(2S)-2-ethylpiperazine
Synonyms
(S)-2-ETHYL-PIPERAZINE
CAS Number
128427-05-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25906 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25906 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) -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

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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