Ethanimidamide, monohydrochloride

CAS Number: 124-42-5
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CC(N)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C2H6N2
Molecular Weight
58.0836
Drug-likeness
-1.3595
CAS
124-42-5
InChI key
WCQOBLXWLRDEQA-UHFFFAOYSA-N
SMILES
CC(N)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 124-42-5
Molecule Name Ethanimidamide, monohydrochloride
Molecular Formula HCl.C2H6N2
SMILES CC(N)=N.Cl
InChI InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChI Key WCQOBLXWLRDEQA-UHFFFAOYSA-N
CanonicalSyTyLFy ba57f6c5e0ca8fb3
TotalMolweight 94.5446
Molecular Weight 58.0836
MonoisotopicMass 58.053098
CLogP -1.0959
CLogS 0.285
H Acceptors 2
H Donors 2
TotalSurfaceArea 54.59
Relative PSA 0.56549
PolarSurfaceArea 49.87
Drug-likeness -1.3595
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 2
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Sp3Atoms 1
BasicNitrogens 1

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