1,2-Dicyclooctylhydrazine--hydrogen chloride (1/1)

CAS Number: 21406-51-9
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C(CCC1)CCCC1NNC1CCCCCCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C16H32N2
Molecular Weight
252.444
Drug-likeness
-4.0574
CAS
21406-51-9
InChI key
XKUJHWDJTAKLMZ-UHFFFAOYSA-N
SMILES
C(CCC1)CCCC1NNC1CCCCCCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 21406-51-9
Molecule Name 1,2-Dicyclooctylhydrazine--hydrogen chloride (1/1)
Molecular Formula HCl.C16H32N2
SMILES C(CCC1)CCCC1NNC1CCCCCCC1.Cl
InChI InChI=1S/C16H32N2.ClH/c1-3-7-11-15(12-8-4-1)17-18-16-13-9-5-2-6-10-14-16;/h15-18H,1-14H2;1H
InChI Key XKUJHWDJTAKLMZ-UHFFFAOYSA-N
CanonicalSyTyLFy bd76d539278c5cc4
TotalMolweight 288.905
Molecular Weight 252.444
MonoisotopicMass 252.256548
CLogP 4.555
CLogS -4.634
H Acceptors 2
H Donors 2
TotalSurfaceArea 227.06
Relative PSA 0.10094
PolarSurfaceArea 24.06
Drug-likeness -4.0574
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.57711
Molecular Complexity 0.48104
Fragments 2
Non HAtoms 18
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 2
Sp3Atoms 18
Symmetricatoms 12

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