(3-propylphenyl)hydrazine Hydrochloride

CAS Number: 306937-28-0
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CCCc1cccc(NN)c1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C9H14N2
Molecular Weight
150.224
Drug-likeness
-6.9144
CAS
306937-28-0
InChI key
DZRBJFAIEAQSBI-UHFFFAOYSA-N
SMILES
CCCc1cccc(NN)c1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 306937-28-0
Molecule Name (3-propylphenyl)hydrazine Hydrochloride
Molecular Formula HCl.C9H14N2
SMILES CCCc1cccc(NN)c1.Cl
InChI InChI=1S/C9H14N2.ClH/c1-2-4-8-5-3-6-9(7-8)11-10;/h3,5-7,11H,2,4,10H2,1H3;1H
InChI Key DZRBJFAIEAQSBI-UHFFFAOYSA-N
CanonicalSyTyLFy daf3f4a833b4b420
TotalMolweight 186.685
Molecular Weight 150.224
MonoisotopicMass 150.115698
CLogP 2.836
CLogS -2.183
H Acceptors 2
H Donors 2
TotalSurfaceArea 133.02
Relative PSA 0.20095
PolarSurfaceArea 38.05
Drug-likeness -6.9144
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.72727
Molecula Flexibility 0.51539
Molecular Complexity 0.64378
Fragments 2
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4

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