Home > Compound List > Compound details
1226776-83-5 molecular structure
click picture or here to close

4-benzyl 2-ethyl morpholine-2,4-dicarboxylate

ChemBase ID: 69928
Molecular Formular: C15H19NO5
Molecular Mass: 293.31506
Monoisotopic Mass: 293.12632271
SMILES and InChIs

SMILES:
N1(CC(OCC1)C(=O)OCC)C(=O)OCc1ccccc1
Canonical SMILES:
CCOC(=O)C1OCCN(C1)C(=O)OCc1ccccc1
InChI:
InChI=1S/C15H19NO5/c1-2-19-14(17)13-10-16(8-9-20-13)15(18)21-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey:
QEIFMBIQRFZCCC-UHFFFAOYSA-N

Cite this record

CBID:69928 http://www.chembase.cn/molecule-69928.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-benzyl 2-ethyl morpholine-2,4-dicarboxylate
IUPAC Traditional name
4-benzyl 2-ethyl morpholine-2,4-dicarboxylate
Synonyms
Ethyl N-Cbz-morpholine-2-carboxylate
CAS Number
1226776-83-5
MDL Number
MFCD16495879
PubChem SID
162035653
PubChem CID
56763848

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56763848 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7349693  LogD (pH = 7.4) 1.7349693 
Log P 1.7349693  Molar Refractivity 74.9176 cm3
Polarizability 29.582232 Å3 Polar Surface Area 65.07 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle