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46415-29-6 molecular structure
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1-(4-ethoxyphenyl)piperazine

ChemBase ID: 815956
Molecular Formular: C12H18N2O
Molecular Mass: 206.28412
Monoisotopic Mass: 206.14191321
SMILES and InChIs

SMILES:
C1CNCCN1c1ccc(cc1)OCC
Canonical SMILES:
CCOc1ccc(cc1)N1CCNCC1
InChI:
InChI=1S/C12H18N2O/c1-2-15-12-5-3-11(4-6-12)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey:
DPEWTQJUUDLJNX-UHFFFAOYSA-N

Cite this record

CBID:815956 http://www.chembase.cn/molecule-815956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-ethoxyphenyl)piperazine
IUPAC Traditional name
1-(4-ethoxyphenyl)piperazine
Synonyms
1-(4-ETHOXYPHENYL)PIPERAZINE
CAS Number
46415-29-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39327 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39327 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) -1.2691202  LogD (pH = 7.4) 0.23735929 
Log P 1.744498  Molar Refractivity 62.4538 cm3
Polarizability 23.995344 Å3 Polar Surface Area 24.5 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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