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13173-24-5 molecular structure
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1,4-bis(prop-2-en-1-yl)piperazine

ChemBase ID: 107724
Molecular Formular: C10H18N2
Molecular Mass: 166.26332
Monoisotopic Mass: 166.14699859
SMILES and InChIs

SMILES:
C=CCN1CCN(CC1)CC=C
Canonical SMILES:
C=CCN1CCN(CC1)CC=C
InChI:
InChI=1S/C10H18N2/c1-3-5-11-7-9-12(6-4-2)10-8-11/h3-4H,1-2,5-10H2
InChIKey:
CHAQCCZFQZMBCQ-UHFFFAOYSA-N

Cite this record

CBID:107724 http://www.chembase.cn/molecule-107724.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,4-bis(prop-2-en-1-yl)piperazine
IUPAC Traditional name
1,4-bis(prop-2-en-1-yl)piperazine
Synonyms
N,N'-DIALLYLPIPERAZINE
CAS Number
13173-24-5
PubChem SID
162093927
PubChem CID
246344

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05204746 external link Add to cart Please log in.
Data Source Data ID
PubChem 246344 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -1.2045791  LogD (pH = 7.4) 0.5684964 
Log P 1.4997886  Molar Refractivity 54.3636 cm3
Polarizability 21.039652 Å3 Polar Surface Area 6.48 Å2

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05204746 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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