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120099-60-7 molecular structure
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(3R)-3-methoxypyrrolidine

ChemBase ID: 63253
Molecular Formular: C5H11NO
Molecular Mass: 101.14694
Monoisotopic Mass: 101.08406398
SMILES and InChIs

SMILES:
N1CC[C@H](C1)OC
Canonical SMILES:
CO[C@H]1CNCC1
InChI:
InChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1
InChIKey:
BWRWNUQAQPAYCK-RXMQYKEDSA-N

Cite this record

CBID:63253 http://www.chembase.cn/molecule-63253.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R)-3-methoxypyrrolidine
IUPAC Traditional name
(3R)-3-methoxypyrrolidine
Synonyms
(3R)-3-Methoxypyrrolidine
CAS Number
120099-60-7
MDL Number
MFCD09953439
PubChem SID
162028992
PubChem CID
15086791

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068569 external link Add to cart Please log in.
Data Source Data ID
PubChem 15086791 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.5258338  LogD (pH = 7.4) -3.1452615 
Log P -0.2916521  Molar Refractivity 28.3035 cm3
Polarizability 11.428371 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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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