Home > Compound List > Compound details
45592-49-2 molecular structure
click picture or here to close

3-ethoxypyrrolidine

ChemBase ID: 309420
Molecular Formular: C6H13NO
Molecular Mass: 115.17352
Monoisotopic Mass: 115.09971404
SMILES and InChIs

SMILES:
N1CCC(OCC)C1
Canonical SMILES:
CCOC1CNCC1
InChI:
InChI=1S/C6H13NO/c1-2-8-6-3-4-7-5-6/h6-7H,2-5H2,1H3
InChIKey:
KEBOYHJEUFJZPE-UHFFFAOYSA-N

Cite this record

CBID:309420 http://www.chembase.cn/molecule-309420.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-ethoxypyrrolidine
IUPAC Traditional name
3-ethoxypyrrolidine
Synonyms
3-ethoxypyrrolidine
CAS Number
45592-49-2
MDL Number
MFCD08687759

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4041020 external link Add to cart
Data Source Data ID Price
ChemBridge
4041020 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.1690147  LogD (pH = 7.4) -2.788088 
Log P 0.06515584  Molar Refractivity 33.0521 cm3
Polarizability 13.269628 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle