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405090-31-5 molecular structure
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ethyl azetidine-3-carboxylate hydrochloride

ChemBase ID: 63573
Molecular Formular: C6H12ClNO2
Molecular Mass: 165.61798
Monoisotopic Mass: 165.05565631
SMILES and InChIs

SMILES:
N1CC(C1)C(=O)OCC.Cl
Canonical SMILES:
CCOC(=O)C1CNC1.Cl
InChI:
InChI=1S/C6H11NO2.ClH/c1-2-9-6(8)5-3-7-4-5;/h5,7H,2-4H2,1H3;1H
InChIKey:
RZQFZRLGHCCPGG-UHFFFAOYSA-N

Cite this record

CBID:63573 http://www.chembase.cn/molecule-63573.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl azetidine-3-carboxylate hydrochloride
IUPAC Traditional name
ethyl azetidine-3-carboxylate hydrochloride
Synonyms
Ethyl azetidine-3-carboxylate hydrochloride
CAS Number
405090-31-5
MDL Number
MFCD10687181
PubChem SID
162029312
PubChem CID
44828820

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068892 external link Add to cart Please log in.
Data Source Data ID
PubChem 44828820 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2450318  LogD (pH = 7.4) -1.7937791 
Log P -0.19438823  Molar Refractivity 33.083 cm3
Polarizability 13.364334 Å3 Polar Surface Area 38.33 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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