Ethyl hydrazinylacetate--hydrogen chloride (1/1)

CAS Number: 6945-92-2
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CCOC(CNN)=O.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.C4H10N2O2
Molecular Weight
118.135
Drug-likeness
-8.9115
CAS
6945-92-2
InChI key
HZZRIIPYFPIKHR-UHFFFAOYSA-N
SMILES
CCOC(CNN)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 6945-92-2
Molecule Name Ethyl hydrazinylacetate--hydrogen chloride (1/1)
Molecular Formula HCl.C4H10N2O2
SMILES CCOC(CNN)=O.Cl
InChI InChI=1S/C4H10N2O2.ClH/c1-2-8-4(7)3-6-5;/h6H,2-3,5H2,1H3;1H
InChI Key HZZRIIPYFPIKHR-UHFFFAOYSA-N
CanonicalSyTyLFy 49201e2caf1e1138
TotalMolweight 154.596
Molecular Weight 118.135
MonoisotopicMass 118.074228
CLogP -1.5535
CLogS -0.733
H Acceptors 4
H Donors 2
TotalSurfaceArea 101.01
Relative PSA 0.49272
PolarSurfaceArea 64.35
Drug-likeness -8.9115
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.875
Molecula Flexibility 0.58136
Molecular Complexity 0.64864
Fragments 2
Non HAtoms 8
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 4
Sp3Atoms 6

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