[2-(4-Methoxyphenoxy)ethyl]hydrazine--hydrogen chloride (1/1)

CAS Number: 70145-83-4
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COc(cc1)ccc1OCCNN.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.C9H14N2O2
Molecular Weight
182.222
Drug-likeness
-3.1327
CAS
70145-83-4
InChI key
OYSRYBDSIRDTKY-UHFFFAOYSA-N
SMILES
COc(cc1)ccc1OCCNN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 70145-83-4
Molecule Name [2-(4-Methoxyphenoxy)ethyl]hydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C9H14N2O2
SMILES COc(cc1)ccc1OCCNN.Cl
InChI InChI=1S/C9H14N2O2.ClH/c1-12-8-2-4-9(5-3-8)13-7-6-11-10;/h2-5,11H,6-7,10H2,1H3;1H
InChI Key OYSRYBDSIRDTKY-UHFFFAOYSA-N
CanonicalSyTyLFy 3ad4191ce43c9bcd
TotalMolweight 218.683
Molecular Weight 182.222
MonoisotopicMass 182.105528
CLogP -0.1627
CLogS -1.798
H Acceptors 4
H Donors 2
TotalSurfaceArea 153.02
Relative PSA 0.30538
PolarSurfaceArea 56.51
Drug-likeness -3.1327
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.84615
Molecula Flexibility 0.56729
Molecular Complexity 0.50742
Fragments 2
Non HAtoms 13
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 5
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 7
Symmetricatoms 2

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