(2,2,7,7-Tetramethylcycloheptylidene)hydrazine

CAS Number: 89050-80-6
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CC(C)(CCCCC1(C)C)C1=NN
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H22N2
Molecular Weight
182.31
Drug-likeness
-8.7421
CAS
89050-80-6
InChI key
PEMSDOJSARITKD-UHFFFAOYSA-N
SMILES
CC(C)(CCCCC1(C)C)C1=NN
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 89050-80-6
Molecule Name (2,2,7,7-Tetramethylcycloheptylidene)hydrazine
Molecular Formula C11H22N2
SMILES CC(C)(CCCCC1(C)C)C1=NN
InChI InChI=1S/C11H22N2/c1-10(2)7-5-6-8-11(3,4)9(10)13-12/h5-8,12H2,1-4H3
InChI Key PEMSDOJSARITKD-UHFFFAOYSA-N
CanonicalSyTyLFy ca9089c90c0cf97
TotalMolweight 182.31
Molecular Weight 182.31
MonoisotopicMass 182.178298
CLogP 2.8611
CLogS -3.199
H Acceptors 2
H Donors 1
TotalSurfaceArea 156.39
Relative PSA 0.17124
PolarSurfaceArea 38.38
Drug-likeness -8.7421
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.46154
Molecula Flexibility 0.28721
Molecular Complexity 0.66172
Fragments 1
Non HAtoms 13
NonCHAtoms 2
Electronegative Atoms 2
Rings Closures 1
Small Rings 1
Sp3Atoms 11
Symmetricatoms 6

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