1,2-Diethylhydrazine dihydrochloride

CAS Number: 7699-31-2
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CCNNCC.Cl.Cl
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: none
Formula
HCl.HCl.C4H12N2
Molecular Weight
88.1533
Drug-likeness
0.4812
CAS
7699-31-2
InChI key
NMTDWUVFGOBBAX-UHFFFAOYSA-N
SMILES
CCNNCC.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 7699-31-2
Molecule Name 1,2-Diethylhydrazine dihydrochloride
Molecular Formula HCl.HCl.C4H12N2
SMILES CCNNCC.Cl.Cl
InChI InChI=1S/C4H12N2.2ClH/c1-3-5-6-4-2;;/h5-6H,3-4H2,1-2H3;2*1H
InChI Key NMTDWUVFGOBBAX-UHFFFAOYSA-N
CanonicalSyTyLFy 4f86a8042bb22c21
TotalMolweight 161.075
Molecular Weight 88.1533
MonoisotopicMass 88.100048
CLogP -0.5708
CLogS -1.006
H Acceptors 2
H Donors 2
TotalSurfaceArea 88.46
Relative PSA 0.2591
PolarSurfaceArea 24.06
Drug-likeness 0.4812
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant none
Shape Index 1
Molecula Flexibility 0.82272
Molecular Complexity 0.54931
Fragments 3
Non HAtoms 6
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Sp3Atoms 6
Symmetricatoms 3

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