O-Cyclobutylhydroxylamine--hydrogen chloride (1/1)

CAS Number: 137270-23-6
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NOC1CCC1.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C4H9NO
Molecular Weight
87.1215
Drug-likeness
-1.771
CAS
137270-23-6
InChI key
OGYASEGFDXUVPQ-UHFFFAOYSA-N
SMILES
NOC1CCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 137270-23-6
Molecule Name O-Cyclobutylhydroxylamine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H9NO
SMILES NOC1CCC1.Cl
InChI InChI=1S/C4H9NO.ClH/c5-6-4-2-1-3-4;/h4H,1-3,5H2;1H
InChI Key OGYASEGFDXUVPQ-UHFFFAOYSA-N
CanonicalSyTyLFy e6e8da079c4071af
TotalMolweight 123.582
Molecular Weight 87.1215
MonoisotopicMass 87.068414
CLogP 0.0705
CLogS -1.614
H Acceptors 2
H Donors 1
TotalSurfaceArea 72.3
Relative PSA 0.34952
PolarSurfaceArea 35.25
Drug-likeness -1.771
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.48209
Molecular Complexity 0.59725
Fragments 2
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 6
Symmetricatoms 1

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