(2-tert-Butylcyclohexyl)hydrazine

CAS Number: 1016699-82-3
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CC(C)(C)C(CCCC1)C1NN
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
C10H22N2
Molecular Weight
170.299
Drug-likeness
-11.028
CAS
1016699-82-3
InChI key
KJLCPDATVUFYGR-UHFFFAOYSA-N
SMILES
CC(C)(C)C(CCCC1)C1NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1016699-82-3
Molecule Name (2-tert-Butylcyclohexyl)hydrazine
Molecular Formula C10H22N2
SMILES CC(C)(C)C(CCCC1)C1NN
InChI InChI=1S/C10H22N2/c1-10(2,3)8-6-4-5-7-9(8)12-11/h8-9,12H,4-7,11H2,1-3H3
InChI Key KJLCPDATVUFYGR-UHFFFAOYSA-N
CanonicalSyTyLFy 4ba3923a7333d7d9
TotalMolweight 170.299
Molecular Weight 170.299
MonoisotopicMass 170.178298
CLogP 1.5458
CLogS -2.871
H Acceptors 2
H Donors 2
TotalSurfaceArea 147.21
Relative PSA 0.18158
PolarSurfaceArea 38.05
Drug-likeness -11.028
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.5
Molecula Flexibility 0.57869
Molecular Complexity 0.58773
Fragments 1
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 12
Symmetricatoms 2
StereoCon unknown chirality

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