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910444-30-3 molecular structure
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2-(4-ethylphenyl)piperazine

ChemBase ID: 66285
Molecular Formular: C12H18N2
Molecular Mass: 190.28472
Monoisotopic Mass: 190.14699859
SMILES and InChIs

SMILES:
N1C(CNCC1)c1ccc(cc1)CC
Canonical SMILES:
CCc1ccc(cc1)C1NCCNC1
InChI:
InChI=1S/C12H18N2/c1-2-10-3-5-11(6-4-10)12-9-13-7-8-14-12/h3-6,12-14H,2,7-9H2,1H3
InChIKey:
XXPMLIBLWBCOEI-UHFFFAOYSA-N

Cite this record

CBID:66285 http://www.chembase.cn/molecule-66285.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-ethylphenyl)piperazine
IUPAC Traditional name
2-(4-ethylphenyl)piperazine
Synonyms
2-(4-Ethylphenyl)piperazine
CAS Number
910444-30-3
MDL Number
MFCD05864676
PubChem SID
162032023
PubChem CID
45036830

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -1.1267055  LogD (pH = 7.4) 0.32548925 
Log P 2.0134234  Molar Refractivity 59.3738 cm3
Polarizability 23.670458 Å3 Polar Surface Area 24.06 Å2

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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