O-Methylhydroxylamine hydrochloride

CAS Number: 593-56-6
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CON.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.CH5NO
Molecular Weight
47.0567
Drug-likeness
-1.87
CAS
593-56-6
InChI key
XNXVOSBNFZWHBV-UHFFFAOYSA-N
SMILES
CON.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 593-56-6
Molecule Name O-Methylhydroxylamine hydrochloride
Molecular Formula HCl.CH5NO
SMILES CON.Cl
InChI InChI=1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H
InChI Key XNXVOSBNFZWHBV-UHFFFAOYSA-N
CanonicalSyTyLFy 5f6a573934883aa5
TotalMolweight 83.5176
Molecular Weight 47.0567
MonoisotopicMass 47.037114
CLogP -0.8012
CLogS -0.58
H Acceptors 2
H Donors 1
TotalSurfaceArea 44.28
Relative PSA 0.57069
PolarSurfaceArea 35.25
Drug-likeness -1.87
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Fragments 2
Non HAtoms 3
NonCHAtoms 2
Electronegative Atoms 2
Sp3Atoms 3

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