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102065-92-9 molecular structure
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N-(azetidin-3-yl)acetamide hydrochloride

ChemBase ID: 64038
Molecular Formular: C5H11ClN2O
Molecular Mass: 150.60664
Monoisotopic Mass: 150.05599066
SMILES and InChIs

SMILES:
Cl.N1CC(NC(=O)C)C1
Canonical SMILES:
CC(=O)NC1CNC1.Cl
InChI:
InChI=1S/C5H10N2O.ClH/c1-4(8)7-5-2-6-3-5;/h5-6H,2-3H2,1H3,(H,7,8);1H
InChIKey:
OYPPTIMLOJPLGO-UHFFFAOYSA-N

Cite this record

CBID:64038 http://www.chembase.cn/molecule-64038.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(azetidin-3-yl)acetamide hydrochloride
IUPAC Traditional name
N-(azetidin-3-yl)acetamide hydrochloride
Synonyms
N-(Azetidin-3-yl)acetamide hydrochloride
CAS Number
102065-92-9
MDL Number
MFCD08059477
PubChem SID
162029777
PubChem CID
13401969

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069363 external link Add to cart Please log in.
Data Source Data ID
PubChem 13401969 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.890964  H Acceptors
H Donor LogD (pH = 5.5) -4.3737793 
LogD (pH = 7.4) -3.000726  Log P -1.2827735 
Molar Refractivity 29.7882 cm3 Polarizability 11.95924 Å3
Polar Surface Area 41.13 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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