(2-Ethylphenyl)hydrazine

CAS Number: 19398-06-2
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CCc(cccc1)c1NN
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C8H12N2
Molecular Weight
136.197
Drug-likeness
-4.8468
CAS
19398-06-2
InChI key
JHPOWXCLWLEKBY-UHFFFAOYSA-N
SMILES
CCc(cccc1)c1NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 19398-06-2
Molecule Name (2-Ethylphenyl)hydrazine
Molecular Formula C8H12N2
SMILES CCc(cccc1)c1NN
InChI InChI=1S/C8H12N2/c1-2-7-5-3-4-6-8(7)10-9/h3-6,10H,2,9H2,1H3
InChI Key JHPOWXCLWLEKBY-UHFFFAOYSA-N
CanonicalSyTyLFy da8abc931ec95bad
TotalMolweight 136.197
Molecular Weight 136.197
MonoisotopicMass 136.100048
CLogP 2.3816
CLogS -1.913
H Acceptors 2
H Donors 2
TotalSurfaceArea 119.26
Relative PSA 0.22413
PolarSurfaceArea 38.05
Drug-likeness -4.8468
Mutagenic none
Tumorigenic high
Reproductive Effective high
Irritant none
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.27666
Molecular Complexity 0.65162
Fragments 1
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3

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