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118972-95-5 molecular structure
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azetidin-3-yl acetate hydrochloride

ChemBase ID: 51719
Molecular Formular: C5H10ClNO2
Molecular Mass: 151.5914
Monoisotopic Mass: 151.04000625
SMILES and InChIs

SMILES:
C(=O)(C)OC1CNC1.Cl
Canonical SMILES:
CC(=O)OC1CNC1.Cl
InChI:
InChI=1S/C5H9NO2.ClH/c1-4(7)8-5-2-6-3-5;/h5-6H,2-3H2,1H3;1H
InChIKey:
FMZWYSVWWFCTDP-UHFFFAOYSA-N

Cite this record

CBID:51719 http://www.chembase.cn/molecule-51719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
azetidin-3-yl acetate hydrochloride
IUPAC Traditional name
azetidin-3-yl acetate hydrochloride
Synonyms
3-Azetidinyl acetate hydrochloride
CAS Number
118972-95-5
MDL Number
MFCD11974389
PubChem SID
162056482
PubChem CID
21963952

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
056307 external link Add to cart Please log in.
Data Source Data ID
PubChem 21963952 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2665048  LogD (pH = 7.4) -1.5603899 
Log P -0.55361295  Molar Refractivity 27.8384 cm3
Polarizability 11.534429 Å3 Polar Surface Area 38.33 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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