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

ChemBase ID: 68557
Molecular Formular: C10H19NO4
Molecular Mass: 217.26216
Monoisotopic Mass: 217.13140809
SMILES and InChIs

SMILES:
N1(C[C@@H](OCC1)CO)C(=O)OC(C)(C)C
Canonical SMILES:
OC[C@@H]1OCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1
InChIKey:
FJYBLMJHXRWDAQ-MRVPVSSYSA-N

Cite this record

CBID:68557 http://www.chembase.cn/molecule-68557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
IUPAC Traditional name
tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
Synonyms
(R)-N-Boc-2-Hydroxymethylmorpholine
(R)-tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CAS Number
135065-71-3
MDL Number
MFCD09260605
PubChem SID
162034288
PubChem CID
1512576

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1512576 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.635357  H Acceptors
H Donor LogD (pH = 5.5) 0.24147919 
LogD (pH = 7.4) 0.24147917  Log P 0.24147919 
Molar Refractivity 54.7255 cm3 Polarizability 21.70826 Å3
Polar Surface Area 59.0 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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