Cyclobutylhydrazine--hydrogen chloride (1/2)

CAS Number: 1156980-49-2
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NNC1CCC1.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: none
Formula
HCl.HCl.C4H10N2
Molecular Weight
86.1374
Drug-likeness
-4.0308
CAS
1156980-49-2
InChI key
UAVGQVJTQZESRT-UHFFFAOYSA-N
SMILES
NNC1CCC1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1156980-49-2
Molecule Name Cyclobutylhydrazine--hydrogen chloride (1/2)
Molecular Formula HCl.HCl.C4H10N2
SMILES NNC1CCC1.Cl.Cl
InChI InChI=1S/C4H10N2.2ClH/c5-6-4-2-1-3-4;;/h4,6H,1-3,5H2;2*1H
InChI Key UAVGQVJTQZESRT-UHFFFAOYSA-N
CanonicalSyTyLFy e083b746009da4f3
TotalMolweight 159.059
Molecular Weight 86.1374
MonoisotopicMass 86.084398
CLogP -0.646
CLogS -1.564
H Acceptors 2
H Donors 2
TotalSurfaceArea 73.76
Relative PSA 0.36239
PolarSurfaceArea 38.05
Drug-likeness -4.0308
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant none
Nasty Functions hydrazine
Shape Index 0.83333
Molecula Flexibility 0.48209
Molecular Complexity 0.59725
Fragments 3
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 6
Symmetricatoms 1

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