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141699-57-2 molecular structure
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tert-butyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate

ChemBase ID: 16224
Molecular Formular: C10H19NO5S
Molecular Mass: 265.32656
Monoisotopic Mass: 265.09839371
SMILES and InChIs

SMILES:
C1C(CN(C1)C(=O)OC(C)(C)C)OS(=O)(=O)C
Canonical SMILES:
O=C(N1CCC(C1)OS(=O)(=O)C)OC(C)(C)C
InChI:
InChI=1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3
InChIKey:
KWQRKOSMSFLBTJ-UHFFFAOYSA-N

Cite this record

CBID:16224 http://www.chembase.cn/molecule-16224.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate
Synonyms
1-Boc-3-Methanesulfonyloxypyrrolidine
3-Methanesulfonyloxy-pyrrolidine-1-carboxylic acid tert-butyl ester
CAS Number
141699-57-2
MDL Number
MFCD04116219
PubChem SID
160979531
PubChem CID
4139999

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4139999 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.28457865  LogD (pH = 7.4) 0.28457865 
Log P 0.28457865  Molar Refractivity 61.2999 cm3
Polarizability 25.331835 Å3 Polar Surface Area 72.91 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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