2-Ethoxypropanehydrazide--hydrogen chloride (1/1)

CAS Number: 1049750-01-7
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CCOC(C)C(NN)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
HCl.C5H12N2O2
Molecular Weight
132.162
Drug-likeness
-9.7335
CAS
1049750-01-7
InChI key
WKMFWIXMOKIDDA-WCCKRBBISA-N
SMILES
CCOC(C)C(NN)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 1049750-01-7
Molecule Name 2-Ethoxypropanehydrazide--hydrogen chloride (1/1)
Molecular Formula HCl.C5H12N2O2
SMILES CCOC(C)C(NN)=O.Cl
InChI InChI=1S/C5H12N2O2.ClH/c1-3-9-4(2)5(8)7-6;/h4H,3,6H2,1-2H3,(H,7,8);1H/t4-;/m0./s1
InChI Key WKMFWIXMOKIDDA-WCCKRBBISA-N
CanonicalSyTyLFy 9c6d18a7cbff706d
TotalMolweight 168.623
Molecular Weight 132.162
MonoisotopicMass 132.089878
CLogP -1.1942
CLogS -1.111
H Acceptors 4
H Donors 2
TotalSurfaceArea 112.01
Relative PSA 0.44434
PolarSurfaceArea 64.35
Drug-likeness -9.7335
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Nasty Functions hydrazine
Shape Index 0.77778
Molecula Flexibility 0.59109
Molecular Complexity 0.62123
Fragments 2
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Rotatable Bond 3
Sp3Atoms 6
StereoCon racemate

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