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871791-79-6 molecular structure
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3-(propan-2-yloxy)azetidine

ChemBase ID: 799398
Molecular Formular: C6H13NO
Molecular Mass: 115.17352
Monoisotopic Mass: 115.09971404
SMILES and InChIs

SMILES:
C1(CNC1)OC(C)C
Canonical SMILES:
CC(OC1CNC1)C
InChI:
InChI=1S/C6H13NO/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3
InChIKey:
QQOPXZDLCMWTIO-UHFFFAOYSA-N

Cite this record

CBID:799398 http://www.chembase.cn/molecule-799398.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(propan-2-yloxy)azetidine
IUPAC Traditional name
3-isopropoxyazetidine
Synonyms
3-Isopropoxy-azetidine
CAS Number
871791-79-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13963 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13963 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) -2.53296  LogD (pH = 7.4) -0.9600745 
Log P 0.42177114  Molar Refractivity 32.6055 cm3
Polarizability 13.269628 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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