(3-Ethylphenyl)hydrazine--hydrogen chloride (1/1)

CAS Number: 60481-49-4
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CCc1cccc(NN)c1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C8H12N2
Molecular Weight
136.197
Drug-likeness
-4.8468
CAS
60481-49-4
InChI key
JWJSWCNKBBQJMP-UHFFFAOYSA-N
SMILES
CCc1cccc(NN)c1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 60481-49-4
Molecule Name (3-Ethylphenyl)hydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H12N2
SMILES CCc1cccc(NN)c1.Cl
InChI InChI=1S/C8H12N2.ClH/c1-2-7-4-3-5-8(6-7)10-9;/h3-6,10H,2,9H2,1H3;1H
InChI Key JWJSWCNKBBQJMP-UHFFFAOYSA-N
CanonicalSyTyLFy 464f95c4479a0a5c
TotalMolweight 172.658
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 none
Irritant none
Nasty Functions hydrazine
Shape Index 0.7
Molecula Flexibility 0.44812
Molecular Complexity 0.61821
Fragments 2
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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