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928038-44-2 molecular structure
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azetidin-3-ylmethanol hydrochloride

ChemBase ID: 54956
Molecular Formular: C4H10ClNO
Molecular Mass: 123.5813
Monoisotopic Mass: 123.04509163
SMILES and InChIs

SMILES:
C1C(CN1)CO.Cl
Canonical SMILES:
OCC1CNC1.Cl
InChI:
InChI=1S/C4H9NO.ClH/c6-3-4-1-5-2-4;/h4-6H,1-3H2;1H
InChIKey:
AQUVQGSNKVDBBF-UHFFFAOYSA-N

Cite this record

CBID:54956 http://www.chembase.cn/molecule-54956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
azetidin-3-ylmethanol hydrochloride
IUPAC Traditional name
azetidin-3-ylmethanol hydrochloride
Synonyms
Azetidin-3-ylmethanol hydrochloride
3-(Hydroxymethyl)azetidine hydrochloride
CAS Number
928038-44-2
MDL Number
MFCD08703352
MFCD09743446
PubChem SID
162059719
PubChem CID
24801400

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24801400 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.392183  H Acceptors
H Donor LogD (pH = 5.5) -4.220924 
LogD (pH = 7.4) -3.5366309  Log P -1.0007195 
Molar Refractivity 23.5741 cm3 Polarizability 9.517664 Å3
Polar Surface Area 32.26 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
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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