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207746-96-1 molecular structure
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tert-butyl (3R)-3-ethoxypyrrolidine-1-carboxylate

ChemBase ID: 297709
Molecular Formular: C11H21NO3
Molecular Mass: 215.28934
Monoisotopic Mass: 215.15214354
SMILES and InChIs

SMILES:
CCO[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Canonical SMILES:
CCO[C@@H]1CCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H21NO3/c1-5-14-9-6-7-12(8-9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKey:
SQETXAYIDTYNTR-SECBINFHSA-N

Cite this record

CBID:297709 http://www.chembase.cn/molecule-297709.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (3R)-3-ethoxypyrrolidine-1-carboxylate
IUPAC Traditional name
tert-butyl (3R)-3-ethoxypyrrolidine-1-carboxylate
Synonyms
tert-Butyl (R)-3-ethoxypyrrolidine-1-carboxylate
1-Boc-(R)-3-ethoxypyrrolidine
1-Boc-(R)-3-乙氧基吡咯烷
CAS Number
207746-96-1
MDL Number
MFCD08064277
PubChem SID
180683240
PubChem CID
42553444

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
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Data Source Data ID
PubChem 42553444 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3483489  LogD (pH = 7.4) 1.3483489 
Log P 1.3483489  Molar Refractivity 58.0472 cm3
Polarizability 22.876492 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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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