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224309-80-2 molecular structure
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1-[3-(pyrrolidin-1-yl)propyl]piperazine

ChemBase ID: 91278
Molecular Formular: C11H23N3
Molecular Mass: 197.32042
Monoisotopic Mass: 197.18919775
SMILES and InChIs

SMILES:
N1(CCNCC1)CCCN1CCCC1
Canonical SMILES:
N1CCN(CC1)CCCN1CCCC1
InChI:
InChI=1S/C11H23N3/c1-2-7-13(6-1)8-3-9-14-10-4-12-5-11-14/h12H,1-11H2
InChIKey:
JAXVYOQQRAMPQD-UHFFFAOYSA-N

Cite this record

CBID:91278 http://www.chembase.cn/molecule-91278.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(pyrrolidin-1-yl)propyl]piperazine
IUPAC Traditional name
1-[3-(pyrrolidin-1-yl)propyl]piperazine
Synonyms
1-[3-(1-Pyrrolidino)propyl]piperazine 97%
CAS Number
224309-80-2
MDL Number
MFCD01320895
PubChem SID
162077982
PubChem CID
2737252

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2737252 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.4174128  LogD (pH = 7.4) -4.0715413 
Log P 0.13864283  Molar Refractivity 61.169 cm3
Polarizability 24.131968 Å3 Polar Surface Area 18.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
106-108°C expand Show data source
Storage Warning
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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