2-(Aminooxy)ethan-1-ol--hydrogen chloride (1/1)

CAS Number: 23156-68-5
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NOCCO.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C2H7NO2
Molecular Weight
77.0826
Drug-likeness
-2.1775
CAS
23156-68-5
InChI key
MVAXDJWUDYBAAH-UHFFFAOYSA-N
SMILES
NOCCO.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 23156-68-5
Molecule Name 2-(Aminooxy)ethan-1-ol--hydrogen chloride (1/1)
Molecular Formula HCl.C2H7NO2
SMILES NOCCO.Cl
InChI InChI=1S/C2H7NO2.ClH/c3-5-2-1-4;/h4H,1-3H2;1H
InChI Key MVAXDJWUDYBAAH-UHFFFAOYSA-N
CanonicalSyTyLFy c555d1e64899a3da
TotalMolweight 113.544
Molecular Weight 77.0826
MonoisotopicMass 77.047679
CLogP -1.3216
CLogS -0.373
H Acceptors 3
H Donors 2
TotalSurfaceArea 65.89
Relative PSA 0.58233
PolarSurfaceArea 55.48
Drug-likeness -2.1775
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.79034
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 5
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 5

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