Hydrazine, 1,1'-(p-phenylenebis(oxyethylene))di-, dihydrochloride

CAS Number: 13104-70-6
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NNCCOc(cc1)ccc1OCCNN.Cl.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.HCl.C10H18N4O2
Molecular Weight
226.279
Drug-likeness
-3.2259
CAS
13104-70-6
InChI key
PEZGQGLJSVCOSN-UHFFFAOYSA-N
SMILES
NNCCOc(cc1)ccc1OCCNN.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 13104-70-6
Molecule Name Hydrazine, 1,1'-(p-phenylenebis(oxyethylene))di-, dihydrochloride
Molecular Formula HCl.HCl.C10H18N4O2
SMILES NNCCOc(cc1)ccc1OCCNN.Cl.Cl
InChI InChI=1S/C10H18N4O2.2ClH/c11-13-5-7-15-9-1-2-10(4-3-9)16-8-6-14-12;;/h1-4,13-14H,5-8,11-12H2;2*1H
InChI Key PEZGQGLJSVCOSN-UHFFFAOYSA-N
CanonicalSyTyLFy ae935fb47da1303a
TotalMolweight 299.201
Molecular Weight 226.279
MonoisotopicMass 226.142976
CLogP -1.845
CLogS -1.944
H Acceptors 6
H Donors 4
TotalSurfaceArea 188.26
Relative PSA 0.3902
PolarSurfaceArea 94.56
Drug-likeness -3.2259
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.875
Molecula Flexibility 0.61725
Molecular Complexity 0.49511
Fragments 3
Non HAtoms 16
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 8
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 10
Symmetricatoms 9

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