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

CAS Number: 62177-26-8
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CCCCCCCCON.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C8H19NO
Molecular Weight
145.245
Drug-likeness
-21.243
CAS
62177-26-8
InChI key
PQDRKONUOMNIDM-UHFFFAOYSA-N
SMILES
CCCCCCCCON.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62177-26-8
Molecule Name O-Octylhydroxylamine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H19NO
SMILES CCCCCCCCON.Cl
InChI InChI=1S/C8H19NO.ClH/c1-2-3-4-5-6-7-8-10-9;/h2-9H2,1H3;1H
InChI Key PQDRKONUOMNIDM-UHFFFAOYSA-N
CanonicalSyTyLFy cdead340dc6570a
TotalMolweight 181.706
Molecular Weight 145.245
MonoisotopicMass 145.146664
CLogP 2.3315
CLogS -2.5
H Acceptors 2
H Donors 1
TotalSurfaceArea 140.6
Relative PSA 0.17973
PolarSurfaceArea 35.25
Drug-likeness -21.243
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.57381
Molecular Complexity 0.44794
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 7
Sp3Atoms 10

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