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883538-81-6 molecular structure
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2-(ethoxymethyl)pyrrolidine

ChemBase ID: 15409
Molecular Formular: C7H15NO
Molecular Mass: 129.2001
Monoisotopic Mass: 129.11536411
SMILES and InChIs

SMILES:
N1C(COCC)CCC1
Canonical SMILES:
CCOCC1CCCN1
InChI:
InChI=1S/C7H15NO/c1-2-9-6-7-4-3-5-8-7/h7-8H,2-6H2,1H3
InChIKey:
FRXBWKFANYNBEO-UHFFFAOYSA-N

Cite this record

CBID:15409 http://www.chembase.cn/molecule-15409.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethoxymethyl)pyrrolidine
IUPAC Traditional name
2-(ethoxymethyl)pyrrolidine
Synonyms
2-(Ethoxymethyl)pyrrolidine
CAS Number
883538-81-6
MDL Number
MFCD06247379
PubChem SID
160978716
PubChem CID
21061948

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21061948 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6544836  LogD (pH = 7.4) -2.3755426 
Log P 0.5825185  Molar Refractivity 37.6967 cm3
Polarizability 15.112169 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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