(3,5-Dimethylphenyl)hydrazine--hydrogen chloride (1/1)

CAS Number: 60481-36-9
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Cc1cc(NN)cc(C)c1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C8H12N2
Molecular Weight
136.197
Drug-likeness
-4.51
CAS
60481-36-9
InChI key
RSBQANBNDXZFIY-UHFFFAOYSA-N
SMILES
Cc1cc(NN)cc(C)c1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 60481-36-9
Molecule Name (3,5-Dimethylphenyl)hydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H12N2
SMILES Cc1cc(NN)cc(C)c1.Cl
InChI InChI=1S/C8H12N2.ClH/c1-6-3-7(2)5-8(4-6)10-9;/h3-5,10H,9H2,1-2H3;1H
InChI Key RSBQANBNDXZFIY-UHFFFAOYSA-N
CanonicalSyTyLFy d3be6f125176b6b
TotalMolweight 172.658
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 none
Nasty Functions hydrazine
Shape Index 0.6
Molecula Flexibility 0.27262
Molecular Complexity 0.6089
Fragments 2
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
Symmetricatoms 3

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