[(2-Methylphenyl)methyl]hydrazine--hydrogen chloride (1/1)

CAS Number: 1059626-06-0
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Cc1c(CNN)cccc1.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.C8H12N2
Molecular Weight
136.197
Drug-likeness
-3.818
CAS
1059626-06-0
InChI key
UUDPCXFREQZQQP-UHFFFAOYSA-N
SMILES
Cc1c(CNN)cccc1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 1059626-06-0
Molecule Name [(2-Methylphenyl)methyl]hydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H12N2
SMILES Cc1c(CNN)cccc1.Cl
InChI InChI=1S/C8H12N2.ClH/c1-7-4-2-3-5-8(7)6-10-9;/h2-5,10H,6,9H2,1H3;1H
InChI Key UUDPCXFREQZQQP-UHFFFAOYSA-N
CanonicalSyTyLFy c2050a2c601deda9
TotalMolweight 172.658
Molecular Weight 136.197
MonoisotopicMass 136.100048
CLogP 0.2443
CLogS -2.197
H Acceptors 2
H Donors 2
TotalSurfaceArea 119.26
Relative PSA 0.22413
PolarSurfaceArea 38.05
Drug-likeness -3.818
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.7
Molecula Flexibility 0.52044
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 4

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