1,1'-(Pentane-1,5-diyl)bis(2-methylhydrazine)--hydrogen chloride (1/1)

CAS Number: 90937-37-4
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CNNCCCCCNNC.Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: none
Formula
HCl.C7H20N4
Molecular Weight
160.264
Drug-likeness
-1.1639
CAS
90937-37-4
InChI key
JZQDVQIKOCJWAA-UHFFFAOYSA-N
SMILES
CNNCCCCCNNC.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 90937-37-4
Molecule Name 1,1'-(Pentane-1,5-diyl)bis(2-methylhydrazine)--hydrogen chloride (1/1)
Molecular Formula HCl.C7H20N4
SMILES CNNCCCCCNNC.Cl
InChI InChI=1S/C7H20N4.ClH/c1-8-10-6-4-3-5-7-11-9-2;/h8-11H,3-7H2,1-2H3;1H
InChI Key JZQDVQIKOCJWAA-UHFFFAOYSA-N
CanonicalSyTyLFy 96b5dd22a217d521
TotalMolweight 196.725
Molecular Weight 160.264
MonoisotopicMass 160.168796
CLogP -1.5682
CLogS -1.238
H Acceptors 4
H Donors 4
TotalSurfaceArea 152.66
Relative PSA 0.30028
PolarSurfaceArea 48.12
Drug-likeness -1.1639
Mutagenic high
Tumorigenic low
Reproductive Effective low
Irritant none
Shape Index 1
Molecula Flexibility 0.7249
Molecular Complexity 0.35835
Fragments 2
Non HAtoms 11
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 8
Sp3Atoms 11
Symmetricatoms 5

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