(2-Methylcyclohexyl)hydrazine

CAS Number: 45659-67-4
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CC(CCCC1)C1NN
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: low
Formula
C7H16N2
Molecular Weight
128.218
Drug-likeness
-7.5202
CAS
45659-67-4
InChI key
HGUXYOWDRGZHTL-UHFFFAOYSA-N
SMILES
CC(CCCC1)C1NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 45659-67-4
Molecule Name (2-Methylcyclohexyl)hydrazine
Molecular Formula C7H16N2
SMILES CC(CCCC1)C1NN
InChI InChI=1S/C7H16N2/c1-6-4-2-3-5-7(6)9-8/h6-7,9H,2-5,8H2,1H3
InChI Key HGUXYOWDRGZHTL-UHFFFAOYSA-N
CanonicalSyTyLFy 3bd320511383d5e3
TotalMolweight 128.218
Molecular Weight 128.218
MonoisotopicMass 128.131348
CLogP 0.3073
CLogS -2.264
H Acceptors 2
H Donors 2
TotalSurfaceArea 112.28
Relative PSA 0.23807
PolarSurfaceArea 38.05
Drug-likeness -7.5202
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant low
Nasty Functions hydrazine
Shape Index 0.66667
Molecula Flexibility 0.46573
Molecular Complexity 0.64124
Fragments 1
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 9
StereoCon unknown chirality

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