O-(2-Methylpropyl)hydroxylamine--hydrogen chloride (1/1)

CAS Number: 6084-58-8
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CC(C)CON.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C4H11NO
Molecular Weight
89.1373
Drug-likeness
-2.2376
CAS
6084-58-8
InChI key
WOXGREIMSJFDPG-UHFFFAOYSA-N
SMILES
CC(C)CON.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 6084-58-8
Molecule Name O-(2-Methylpropyl)hydroxylamine--hydrogen chloride (1/1)
Molecular Formula HCl.C4H11NO
SMILES CC(C)CON.Cl
InChI InChI=1S/C4H11NO.ClH/c1-4(2)3-6-5;/h4H,3,5H2,1-2H3;1H
InChI Key WOXGREIMSJFDPG-UHFFFAOYSA-N
CanonicalSyTyLFy 5bea4c7f0e199041
TotalMolweight 125.598
Molecular Weight 89.1373
MonoisotopicMass 89.084064
CLogP 0.2778
CLogS -1.31
H Acceptors 2
H Donors 1
TotalSurfaceArea 82.8
Relative PSA 0.30519
PolarSurfaceArea 35.25
Drug-likeness -2.2376
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.76976
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Sp3Atoms 6
Symmetricatoms 1

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