Hydrazine, (3,4-dimethoxyphenyl)-, hydrochloride

CAS Number: 20329-82-2
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COc(ccc(NN)c1)c1OC.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C8H12N2O2
Molecular Weight
168.195
Drug-likeness
-4.4026
CAS
20329-82-2
InChI key
HRSRMSMAVYUKRC-UHFFFAOYSA-N
SMILES
COc(ccc(NN)c1)c1OC.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 20329-82-2
Molecule Name Hydrazine, (3,4-dimethoxyphenyl)-, hydrochloride
Molecular Formula HCl.C8H12N2O2
SMILES COc(ccc(NN)c1)c1OC.Cl
InChI InChI=1S/C8H12N2O2.ClH/c1-11-7-4-3-6(10-9)5-8(7)12-2;/h3-5,10H,9H2,1-2H3;1H
InChI Key HRSRMSMAVYUKRC-UHFFFAOYSA-N
CanonicalSyTyLFy 4268c9e5163623b6
TotalMolweight 204.656
Molecular Weight 168.195
MonoisotopicMass 168.089878
CLogP 1.4821
CLogS -1.446
H Acceptors 4
H Donors 2
TotalSurfaceArea 137.76
Relative PSA 0.33921
PolarSurfaceArea 56.51
Drug-likeness -4.4026
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.66667
Molecula Flexibility 0.22321
Molecular Complexity 0.6553
Fragments 2
Non HAtoms 12
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 5

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