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71888-55-6 molecular structure
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1-propylpiperazine hydrochloride

ChemBase ID: 89539
Molecular Formular: C7H17ClN2
Molecular Mass: 164.67628
Monoisotopic Mass: 164.10802623
SMILES and InChIs

SMILES:
N1(CCNCC1)CCC.Cl
Canonical SMILES:
CCCN1CCNCC1.Cl
InChI:
InChI=1S/C7H16N2.ClH/c1-2-5-9-6-3-8-4-7-9;/h8H,2-7H2,1H3;1H
InChIKey:
QFCLTBGHRZKNGY-UHFFFAOYSA-N

Cite this record

CBID:89539 http://www.chembase.cn/molecule-89539.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-propylpiperazine hydrochloride
IUPAC Traditional name
1-propylpiperazine hydrochloride
Synonyms
1-(Piperazin-1-yl)propane hydrochloride
1-Propylpiperazine hydrochloride
CAS Number
71888-55-6
MDL Number
MFCD11575790
PubChem SID
162076417
PubChem CID
3018287

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
OR51746 external link Add to cart Please log in.
Data Source Data ID
PubChem 3018287 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.03253  LogD (pH = 7.4) -1.7622564 
Log P 0.5335715  Molar Refractivity 40.0161 cm3
Polarizability 15.965017 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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