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89989-06-0 molecular structure
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1-(3-ethoxyphenyl)piperazine

ChemBase ID: 812763
Molecular Formular: C12H18N2O
Molecular Mass: 206.28412
Monoisotopic Mass: 206.14191321
SMILES and InChIs

SMILES:
C1CNCCN1c1cc(ccc1)OCC
Canonical SMILES:
CCOc1cccc(c1)N1CCNCC1
InChI:
InChI=1S/C12H18N2O/c1-2-15-12-5-3-4-11(10-12)14-8-6-13-7-9-14/h3-5,10,13H,2,6-9H2,1H3
InChIKey:
SNOLWZPEAPGOOD-UHFFFAOYSA-N

Cite this record

CBID:812763 http://www.chembase.cn/molecule-812763.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-ethoxyphenyl)piperazine
IUPAC Traditional name
1-(3-ethoxyphenyl)piperazine
Synonyms
1-(3-ETHOXY-PHENYL)-PIPERAZINE
CAS Number
89989-06-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33443 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33443 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) -1.2565469  LogD (pH = 7.4) 0.2660206 
Log P 1.744498  Molar Refractivity 62.4538 cm3
Polarizability 23.996534 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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