N,N-Diethyl-2-[(6-hydrazinylidene-1,6-dihydropyridazin-3-yl)oxy]ethan-1-amine--hydrogen chloride (1/2)

CAS Number: 39807-32-4
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CCN(CC)CCOC(C=C1)=NN/C1=N/N.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
HCl.HCl.C10H19N5O
Molecular Weight
225.295
Drug-likeness
6.2679
CAS
39807-32-4
InChI key
KIABIPFSDNKRHH-UHFFFAOYSA-N
SMILES
CCN(CC)CCOC(C=C1)=NN/C1=N/N.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 39807-32-4
Molecule Name N,N-Diethyl-2-[(6-hydrazinylidene-1,6-dihydropyridazin-3-yl)oxy]ethan-1-amine--hydrogen chloride (1/2)
Molecular Formula HCl.HCl.C10H19N5O
SMILES CCN(CC)CCOC(C=C1)=NN/C1=N/N.Cl.Cl
InChI InChI=1S/C10H19N5O.2ClH/c1-3-15(4-2)7-8-16-10-6-5-9(12-11)13-14-10;;/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,13);2*1H
InChI Key KIABIPFSDNKRHH-UHFFFAOYSA-N
CanonicalSyTyLFy 32e5680dff04eeb
TotalMolweight 298.217
Molecular Weight 225.295
MonoisotopicMass 225.15896
CLogP -0.2052
CLogS -1.532
H Acceptors 6
H Donors 2
TotalSurfaceArea 192.28
Relative PSA 0.32921
PolarSurfaceArea 75.24
Drug-likeness 6.2679
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.75
Molecula Flexibility 0.54382
Molecular Complexity 0.55886
Fragments 3
Non HAtoms 16
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 6
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 2

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