1-Phenyl-2-propylhydrazine--hydrogen chloride (1/1)

CAS Number: 73941-13-6
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CCCNNc1ccccc1.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C9H14N2
Molecular Weight
150.224
Drug-likeness
0.92221
CAS
73941-13-6
InChI key
ISGRCSWJYZEUNU-UHFFFAOYSA-N
SMILES
CCCNNc1ccccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 73941-13-6
Molecule Name 1-Phenyl-2-propylhydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C9H14N2
SMILES CCCNNc1ccccc1.Cl
InChI InChI=1S/C9H14N2.ClH/c1-2-8-10-11-9-6-4-3-5-7-9;/h3-7,10-11H,2,8H2,1H3;1H
InChI Key ISGRCSWJYZEUNU-UHFFFAOYSA-N
CanonicalSyTyLFy a11043a4b4027c0d
TotalMolweight 186.685
Molecular Weight 150.224
MonoisotopicMass 150.115698
CLogP 2.6171
CLogS -1.856
H Acceptors 2
H Donors 2
TotalSurfaceArea 135.96
Relative PSA 0.16858
PolarSurfaceArea 24.06
Drug-likeness 0.92221
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Shape Index 0.81818
Molecula Flexibility 0.62203
Molecular Complexity 0.51299
Fragments 2
Non HAtoms 11
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2

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