N-Ethylmorpholine

CAS Number: 100-74-3
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CCN1CCOCC1
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: high
Formula
C6H13NO
Molecular Weight
115.175
Drug-likeness
3.7593
CAS
100-74-3
InChI key
HVCNXQOWACZAFN-UHFFFAOYSA-N
SMILES
CCN1CCOCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 100-74-3
Molecule Name N-Ethylmorpholine
Molecular Formula C6H13NO
SMILES CCN1CCOCC1
InChI InChI=1S/C6H13NO/c1-2-7-3-5-8-6-4-7/h2-6H2,1H3
InChI Key HVCNXQOWACZAFN-UHFFFAOYSA-N
CanonicalSyTyLFy 533c9630ca65ab50
TotalMolweight 115.175
Molecular Weight 115.175
MonoisotopicMass 115.099714
CLogP 0.2397
CLogS -0.174
H Acceptors 2
TotalSurfaceArea 101.36
Relative PSA 0.13368
PolarSurfaceArea 12.47
Drug-likeness 3.7593
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.75
Molecula Flexibility 0.37683
Molecular Complexity 0.57565
Fragments 1
Non HAtoms 8
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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