4-{2-[(Oxolan-2-yl)methoxy]ethyl}morpholine

CAS Number: 100050-34-8
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C(COCC1OCCC1)N1CCOCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H21NO3
Molecular Weight
215.292
Drug-likeness
0.6436
CAS
100050-34-8
InChI key
SYRAPIUZSHUBDT-LLVKDONJSA-N
SMILES
C(COCC1OCCC1)N1CCOCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 100050-34-8
Molecule Name 4-{2-[(Oxolan-2-yl)methoxy]ethyl}morpholine
Molecular Formula C11H21NO3
SMILES C(COCC1OCCC1)N1CCOCC1
InChI InChI=1S/C11H21NO3/c1-2-11(15-6-1)10-14-9-5-12-3-7-13-8-4-12/h11H,1-10H2/t11-/m1/s1
InChI Key SYRAPIUZSHUBDT-LLVKDONJSA-N
CanonicalSyTyLFy 9100b1f2e85d3cc2
TotalMolweight 215.292
Molecular Weight 215.292
MonoisotopicMass 215.152144
CLogP 0.0407
CLogS -0.48
H Acceptors 4
TotalSurfaceArea 176.9
Relative PSA 0.18966
PolarSurfaceArea 30.93
Drug-likeness 0.6436
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.73333
Molecula Flexibility 0.57372
Molecular Complexity 0.49511
Fragments 1
Non HAtoms 15
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Rotatable Bond 5
Rings Closures 2
Small Rings 2
Sp3Atoms 15
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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