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

CAS Number: 157128-57-9
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NCCON.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C2H8N2O
Molecular Weight
76.0985
Drug-likeness
-3.2068
CAS
157128-57-9
InChI key
FZDKEAZDPFKHPJ-UHFFFAOYSA-N
SMILES
NCCON.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 157128-57-9
Molecule Name 2-(Aminooxy)ethan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C2H8N2O
SMILES NCCON.Cl
InChI InChI=1S/C2H8N2O.ClH/c3-1-2-5-4;/h1-4H2;1H
InChI Key FZDKEAZDPFKHPJ-UHFFFAOYSA-N
CanonicalSyTyLFy 34bce7127f56d145
TotalMolweight 112.559
Molecular Weight 76.0985
MonoisotopicMass 76.063663
CLogP -1.7194
CLogS -0.449
H Acceptors 3
H Donors 2
TotalSurfaceArea 68.06
Relative PSA 0.59565
PolarSurfaceArea 61.27
Drug-likeness -3.2068
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.80041
Molecular Complexity 0.54931
Fragments 2
Non HAtoms 5
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Sp3Atoms 5
Amines 1
AlkylAmines 1
BasicNitrogens 1

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