Hydroxylamine, O-ethyl-, hydrochloride

CAS Number: 3332-29-4
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CCON.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C2H7NO
Molecular Weight
61.0836
Drug-likeness
-3.2365
CAS
3332-29-4
InChI key
NUXCOKIYARRTDC-UHFFFAOYSA-N
SMILES
CCON.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 3332-29-4
Molecule Name Hydroxylamine, O-ethyl-, hydrochloride
Molecular Formula HCl.C2H7NO
SMILES CCON.Cl
InChI InChI=1S/C2H7NO.ClH/c1-2-4-3;/h2-3H2,1H3;1H
InChI Key NUXCOKIYARRTDC-UHFFFAOYSA-N
CanonicalSyTyLFy 7eca67256104c200
TotalMolweight 97.5445
Molecular Weight 61.0836
MonoisotopicMass 61.052764
CLogP -0.3949
CLogS -0.88
H Acceptors 2
H Donors 1
TotalSurfaceArea 58.04
Relative PSA 0.43539
PolarSurfaceArea 35.25
Drug-likeness -3.2365
Mutagenic high
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.65756
Fragments 2
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 4

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