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82516-03-8 molecular structure
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1-(2,2-dimethoxyethyl)piperazine

ChemBase ID: 307918
Molecular Formular: C8H18N2O2
Molecular Mass: 174.24072
Monoisotopic Mass: 174.13682783
SMILES and InChIs

SMILES:
N1(CC(OC)OC)CCNCC1
Canonical SMILES:
COC(CN1CCNCC1)OC
InChI:
InChI=1S/C8H18N2O2/c1-11-8(12-2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3
InChIKey:
UEOCHFHHZPPAPA-UHFFFAOYSA-N

Cite this record

CBID:307918 http://www.chembase.cn/molecule-307918.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,2-dimethoxyethyl)piperazine
IUPAC Traditional name
1-(2,2-dimethoxyethyl)piperazine
Synonyms
1-(2,2-dimethoxyethyl)piperazine
CAS Number
82516-03-8
MDL Number
MFCD09864418

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.281936  LogD (pH = 7.4) -1.9525218 
Log P -0.11383184  Molar Refractivity 47.5681 cm3
Polarizability 19.178087 Å3 Polar Surface Area 33.73 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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