(2,3-Dimethylphenyl)hydrazine

CAS Number: 123333-92-6
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Cc1cccc(NN)c1C
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
C8H12N2
Molecular Weight
136.197
Drug-likeness
-4.51
CAS
123333-92-6
InChI key
PIBBBGRPSHLONB-UHFFFAOYSA-N
SMILES
Cc1cccc(NN)c1C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 123333-92-6
Molecule Name (2,3-Dimethylphenyl)hydrazine
Molecular Formula C8H12N2
SMILES Cc1cccc(NN)c1C
InChI InChI=1S/C8H12N2/c1-6-4-3-5-8(10-9)7(6)2/h3-5,10H,9H2,1-2H3
InChI Key PIBBBGRPSHLONB-UHFFFAOYSA-N
CanonicalSyTyLFy fa5b6bd015623043
TotalMolweight 136.197
Molecular Weight 136.197
MonoisotopicMass 136.100048
CLogP 2.3099
CLogS -2.098
H Acceptors 2
H Donors 2
TotalSurfaceArea 117.76
Relative PSA 0.22699
PolarSurfaceArea 38.05
Drug-likeness -4.51
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.017819
Molecular Complexity 0.6868
Fragments 1
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3

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