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111043-48-2 molecular structure
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1-methylazetidin-3-ol hydrochloride

ChemBase ID: 63134
Molecular Formular: C4H10ClNO
Molecular Mass: 123.5813
Monoisotopic Mass: 123.04509163
SMILES and InChIs

SMILES:
Cl.C1C(CN1C)O
Canonical SMILES:
OC1CN(C1)C.Cl
InChI:
InChI=1S/C4H9NO.ClH/c1-5-2-4(6)3-5;/h4,6H,2-3H2,1H3;1H
InChIKey:
GYTMWEWMNIDGQA-UHFFFAOYSA-N

Cite this record

CBID:63134 http://www.chembase.cn/molecule-63134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylazetidin-3-ol hydrochloride
IUPAC Traditional name
1-methylazetidin-3-ol hydrochloride
Synonyms
3-Hydroxy-1-methylazetidine hydrochloride
CAS Number
111043-48-2
MDL Number
MFCD16605978
PubChem SID
162028873
PubChem CID
57149531

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068447 external link Add to cart Please log in.
Data Source Data ID
PubChem 57149531 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P -0.6116904  Molar Refractivity 23.9816 cm3
Polarizability 9.517664 Å3 Polar Surface Area 23.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.794964  H Acceptors
H Donor LogD (pH = 5.5) -2.389747 
LogD (pH = 7.4) -0.8563389 

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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