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139256-79-4 molecular structure
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1-cyclopropylpiperazine dihydrochloride

ChemBase ID: 77688
Molecular Formular: C7H16Cl2N2
Molecular Mass: 199.12134
Monoisotopic Mass: 198.06905388
SMILES and InChIs

SMILES:
N1(C2CC2)CCNCC1.Cl.Cl
Canonical SMILES:
N1CCN(CC1)C1CC1.Cl.Cl
InChI:
InChI=1S/C7H14N2.2ClH/c1-2-7(1)9-5-3-8-4-6-9;;/h7-8H,1-6H2;2*1H
InChIKey:
JDJNSFSTSJWJFA-UHFFFAOYSA-N

Cite this record

CBID:77688 http://www.chembase.cn/molecule-77688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropylpiperazine dihydrochloride
IUPAC Traditional name
1-cyclopropylpiperazine dihydrochloride
Synonyms
1-Cyclopropylpiperazine dihydrochloride
1-Cyclopropylpiperazine dihydrochloride
1-环丙基哌嗪 二盐酸盐
CAS Number
139256-79-4
MDL Number
MFCD00040810
PubChem SID
162042560
PubChem CID
21220812

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21220812 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2888274  LogD (pH = 7.4) -1.9382324 
Log P 0.11980564  Molar Refractivity 37.9547 cm3
Polarizability 15.227027 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN1759 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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