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1003-28-7 molecular structure
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2-ethylpyrrolidine

ChemBase ID: 261705
Molecular Formular: C6H13N
Molecular Mass: 99.17412
Monoisotopic Mass: 99.10479942
SMILES and InChIs

SMILES:
N1C(CC)CCC1
Canonical SMILES:
CCC1CCCN1
InChI:
InChI=1S/C6H13N/c1-2-6-4-3-5-7-6/h6-7H,2-5H2,1H3
InChIKey:
JFZLDRUSMYBXRI-UHFFFAOYSA-N

Cite this record

CBID:261705 http://www.chembase.cn/molecule-261705.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethylpyrrolidine
IUPAC Traditional name
2-ethylpyrrolidine
Synonyms
2-ethylpyrrolidine
CAS Number
1003-28-7
MDL Number
MFCD02663413
PubChem SID
164317615
PubChem CID
4993465

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4993465 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0893373  LogD (pH = 7.4) -2.039935 
Log P 1.1520164  Molar Refractivity 31.1772 cm3
Polarizability 12.598926 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.424 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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