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138356-55-5 molecular structure
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ethyl[2-(pyrrolidin-1-yl)ethyl]amine

ChemBase ID: 55918
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(CCNCC)CCCC1
Canonical SMILES:
CCNCCN1CCCC1
InChI:
InChI=1S/C8H18N2/c1-2-9-5-8-10-6-3-4-7-10/h9H,2-8H2,1H3
InChIKey:
FBYCSNRISIMKFX-UHFFFAOYSA-N

Cite this record

CBID:55918 http://www.chembase.cn/molecule-55918.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl[2-(pyrrolidin-1-yl)ethyl]amine
IUPAC Traditional name
ethyl[2-(pyrrolidin-1-yl)ethyl]amine
Synonyms
N-Ethyl-2-pyrrolidin-1-ylethanamine
N-Ethyl-2-pyrrolidin-1-ylethanamine
CAS Number
138356-55-5
MDL Number
MFCD08361605
PubChem SID
162060681
PubChem CID
15113276

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15113276 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -4.192431  LogD (pH = 7.4) -2.1432576 
Log P 0.58837146  Molar Refractivity 45.0021 cm3
Polarizability 17.811394 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
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C8H18N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00390 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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