Acetamide, 2-hydrazino-, hydrochloride

CAS Number: 4666-66-4
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NC(CNN)=O.Cl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
HCl.C2H7N3O
Molecular Weight
89.0976
Drug-likeness
-1.9556
CAS
4666-66-4
InChI key
LTKOCJDJKZTTNX-UHFFFAOYSA-N
SMILES
NC(CNN)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 4666-66-4
Molecule Name Acetamide, 2-hydrazino-, hydrochloride
Molecular Formula HCl.C2H7N3O
SMILES NC(CNN)=O.Cl
InChI InChI=1S/C2H7N3O.ClH/c3-2(6)1-5-4;/h5H,1,4H2,(H2,3,6);1H
InChI Key LTKOCJDJKZTTNX-UHFFFAOYSA-N
CanonicalSyTyLFy c2498ab81e0e98c4
TotalMolweight 125.559
Molecular Weight 89.0976
MonoisotopicMass 89.058912
CLogP -2.7855
CLogS -0.381
H Acceptors 4
H Donors 3
TotalSurfaceArea 73.51
Relative PSA 0.74874
PolarSurfaceArea 81.14
Drug-likeness -1.9556
Mutagenic low
Tumorigenic high
Reproductive Effective low
Irritant none
Nasty Functions hydrazine
Shape Index 0.83333
Molecula Flexibility 0.81454
Molecular Complexity 0.80472
Fragments 2
Non HAtoms 6
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Sp3Atoms 3
Amides 1

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