(Cyclohexylmethyl)hydrazine--hydrogen chloride (1/2)

CAS Number: 1177319-00-4
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NNCC1CCCCC1.Cl.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.HCl.C7H16N2
Molecular Weight
128.218
Drug-likeness
-7.4346
CAS
1177319-00-4
InChI key
UNFWEMVEIFYVLW-UHFFFAOYSA-N
SMILES
NNCC1CCCCC1.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 1177319-00-4
Molecule Name (Cyclohexylmethyl)hydrazine--hydrogen chloride (1/2)
Molecular Formula HCl.HCl.C7H16N2
SMILES NNCC1CCCCC1.Cl.Cl
InChI InChI=1S/C7H16N2.2ClH/c8-9-6-7-4-2-1-3-5-7;;/h7,9H,1-6,8H2;2*1H
InChI Key UNFWEMVEIFYVLW-UHFFFAOYSA-N
CanonicalSyTyLFy 1bc908106c1a13ad
TotalMolweight 201.14
Molecular Weight 128.218
MonoisotopicMass 128.131348
CLogP 0.2327
CLogS -2.156
H Acceptors 2
H Donors 2
TotalSurfaceArea 115.04
Relative PSA 0.23235
PolarSurfaceArea 38.05
Drug-likeness -7.4346
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.77778
Molecula Flexibility 0.57005
Molecular Complexity 0.57565
Fragments 3
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Symmetricatoms 2

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