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76946-27-5 molecular structure
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2-(methoxymethyl)pyrrolidine

ChemBase ID: 15419
Molecular Formular: C6H13NO
Molecular Mass: 115.17352
Monoisotopic Mass: 115.09971404
SMILES and InChIs

SMILES:
N1C(COC)CCC1
Canonical SMILES:
COCC1CCCN1
InChI:
InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3
InChIKey:
CHPRFKYDQRKRRK-UHFFFAOYSA-N

Cite this record

CBID:15419 http://www.chembase.cn/molecule-15419.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(methoxymethyl)pyrrolidine
IUPAC Traditional name
2-(methoxymethyl)pyrrolidine
Synonyms
2-(Methoxymethyl)pyrrolidine
CAS Number
76946-27-5
MDL Number
MFCD01249587
PubChem SID
160978726
PubChem CID
143953

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
015550 external link Add to cart Please log in.
Data Source Data ID
PubChem 143953 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0112984  LogD (pH = 7.4) -2.732641 
Log P 0.22571056  Molar Refractivity 32.9481 cm3
Polarizability 13.269628 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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