Hydrazine, (2-phenylethyl)-, hydrochloride

CAS Number: 77430-25-2
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NNCCc1ccccc1.Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HCl.C8H12N2
Molecular Weight
136.197
Drug-likeness
-3.3329
CAS
77430-25-2
InChI key
YXTQJIOOEPPOBO-UHFFFAOYSA-N
SMILES
NNCCc1ccccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 77430-25-2
Molecule Name Hydrazine, (2-phenylethyl)-, hydrochloride
Molecular Formula HCl.C8H12N2
SMILES NNCCc1ccccc1.Cl
InChI InChI=1S/C8H12N2.ClH/c9-10-7-6-8-4-2-1-3-5-8;/h1-5,10H,6-7,9H2;1H
InChI Key YXTQJIOOEPPOBO-UHFFFAOYSA-N
CanonicalSyTyLFy b966999bce8a39e0
TotalMolweight 172.658
Molecular Weight 136.197
MonoisotopicMass 136.100048
CLogP 0.3305
CLogS -1.965
H Acceptors 2
H Donors 2
TotalSurfaceArea 120.76
Relative PSA 0.22135
PolarSurfaceArea 38.05
Drug-likeness -3.3329
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant none
Nasty Functions hydrazine
Shape Index 0.8
Molecula Flexibility 0.58162
Molecular Complexity 0.49698
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2

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