4-Tetradecylmorpholine--hydrogen chloride (1/1)

CAS Number: 89632-33-7
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CCCCCCCCCCCCCCN1CCOCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
HCl.C18H37NO
Molecular Weight
283.498
Drug-likeness
-15.899
CAS
89632-33-7
InChI key
PROZYMYXEQEIMQ-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCN1CCOCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 89632-33-7
Molecule Name 4-Tetradecylmorpholine--hydrogen chloride (1/1)
Molecular Formula HCl.C18H37NO
SMILES CCCCCCCCCCCCCCN1CCOCC1.Cl
InChI InChI=1S/C18H37NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20-18-16-19;/h2-18H2,1H3;1H
InChI Key PROZYMYXEQEIMQ-UHFFFAOYSA-N
CanonicalSyTyLFy 4ba5df2c617d0c38
TotalMolweight 319.959
Molecular Weight 283.498
MonoisotopicMass 283.287514
CLogP 5.6925
CLogS -3.414
H Acceptors 2
TotalSurfaceArea 266.48
Relative PSA 0.050848
PolarSurfaceArea 12.47
Drug-likeness -15.899
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.9
Molecula Flexibility 0.50324
Molecular Complexity 0.46544
Fragments 2
Non HAtoms 20
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 13
Rings Closures 1
Small Rings 1
Sp3Atoms 20
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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