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135065-71-3 molecular structure
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tert-butyl (2R)-2-methoxymorpholine-4-carboxylate

ChemBase ID: 301174
Molecular Formular: C10H19NO4
Molecular Mass: 217.26216
Monoisotopic Mass: 217.13140809
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)N1CCO[C@H](C1)OC
Canonical SMILES:
CO[C@@H]1OCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H19NO4/c1-10(2,3)15-9(12)11-5-6-14-8(7-11)13-4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKey:
BTWWKHKGERFPFS-MRVPVSSYSA-N

Cite this record

CBID:301174 http://www.chembase.cn/molecule-301174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2R)-2-methoxymorpholine-4-carboxylate
IUPAC Traditional name
tert-butyl (2R)-2-methoxymorpholine-4-carboxylate
Synonyms
(R)-N-Boc-2-hydroxymethylmorpholine
CAS Number
135065-71-3
MDL Number
MFCD09260605

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1507167  LogD (pH = 7.4) 1.1507167 
Log P 1.1507167  Molar Refractivity 54.5441 cm3
Polarizability 21.77694 Å3 Polar Surface Area 48.0 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
26-37-60 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-P501 expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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