(1-Phenylethyl)hydrazine--hydrogen chloride (1/1)

CAS Number: 29248-55-3
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CC(c1ccccc1)NN.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.C8H12N2
Molecular Weight
136.197
Drug-likeness
-2.8942
CAS
29248-55-3
InChI key
FLMNJZPWUCHXNJ-FJXQXJEOSA-N
SMILES
CC(c1ccccc1)NN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 29248-55-3
Molecule Name (1-Phenylethyl)hydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H12N2
SMILES CC(c1ccccc1)NN.Cl
InChI InChI=1S/C8H12N2.ClH/c1-7(10-9)8-5-3-2-4-6-8;/h2-7,10H,9H2,1H3;1H/t7-;/m0./s1
InChI Key FLMNJZPWUCHXNJ-FJXQXJEOSA-N
CanonicalSyTyLFy 6fbbff07a951883b
TotalMolweight 172.658
Molecular Weight 136.197
MonoisotopicMass 136.100048
CLogP 0.1871
CLogS -1.924
H Acceptors 2
H Donors 2
TotalSurfaceArea 118
Relative PSA 0.22653
PolarSurfaceArea 38.05
Drug-likeness -2.8942
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.7
Molecula Flexibility 0.55732
Molecular Complexity 0.55452
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 4
Symmetricatoms 2
StereoCon racemate

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