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34971-71-6 molecular structure
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3,3-diethylpyrrolidine

ChemBase ID: 58152
Molecular Formular: C8H17N
Molecular Mass: 127.22728
Monoisotopic Mass: 127.13609955
SMILES and InChIs

SMILES:
C1C(CCN1)(CC)CC
Canonical SMILES:
CCC1(CC)CNCC1
InChI:
InChI=1S/C8H17N/c1-3-8(4-2)5-6-9-7-8/h9H,3-7H2,1-2H3
InChIKey:
MHFVZMTVFSGIBV-UHFFFAOYSA-N

Cite this record

CBID:58152 http://www.chembase.cn/molecule-58152.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3-diethylpyrrolidine
IUPAC Traditional name
3,3-diethylpyrrolidine
Synonyms
3,3-Diethylpyrrolidine
CAS Number
34971-71-6
MDL Number
MFCD09802322
PubChem SID
162062915
PubChem CID
19090605

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 19090605 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3957907  LogD (pH = 7.4) -1.3106629 
Log P 1.84503  Molar Refractivity 40.3061 cm3
Polarizability 16.292534 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.472 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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