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142253-57-4 molecular structure
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tert-butyl 3-[(methanesulfonyloxy)methyl]azetidine-1-carboxylate

ChemBase ID: 59459
Molecular Formular: C10H19NO5S
Molecular Mass: 265.32656
Monoisotopic Mass: 265.09839371
SMILES and InChIs

SMILES:
CS(=O)(=O)OCC1CN(C1)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CC(C1)COS(=O)(=O)C)OC(C)(C)C
InChI:
InChI=1S/C10H19NO5S/c1-10(2,3)16-9(12)11-5-8(6-11)7-15-17(4,13)14/h8H,5-7H2,1-4H3
InChIKey:
LVYVGVJPTGKRSM-UHFFFAOYSA-N

Cite this record

CBID:59459 http://www.chembase.cn/molecule-59459.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-[(methanesulfonyloxy)methyl]azetidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-[(methanesulfonyloxy)methyl]azetidine-1-carboxylate
Synonyms
tert-butyl 3-[(methanesulfonyloxy)methyl]azetidine-1-carboxylate
(1-(tert-Butoxycarbonyl)azetidin-3-yl)-methyl-methanesulfonate
CAS Number
142253-57-4
MDL Number
MFCD16620807
PubChem SID
162064222
PubChem CID
21959416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21959416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2186377  LogD (pH = 7.4) 0.2186377 
Log P 0.2186377  Molar Refractivity 61.3217 cm3
Polarizability 25.331835 Å3 Polar Surface Area 72.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.177 expand Show data source
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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