2-[Ethyl(methyl)amino]acetohydrazide--hydrogen chloride (1/1) (non-preferred name)

CAS Number: 1203264-31-6
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CCN(C)CC(NN)=O.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: low
Formula
HCl.C5H13N3O
Molecular Weight
131.178
Drug-likeness
-0.9995
CAS
1203264-31-6
InChI key
SDLFWJYDSLVYIV-UHFFFAOYSA-N
SMILES
CCN(C)CC(NN)=O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 1203264-31-6
Molecule Name 2-[Ethyl(methyl)amino]acetohydrazide--hydrogen chloride (1/1) (non-preferred name)
Molecular Formula HCl.C5H13N3O
SMILES CCN(C)CC(NN)=O.Cl
InChI InChI=1S/C5H13N3O.ClH/c1-3-8(2)4-5(9)7-6;/h3-4,6H2,1-2H3,(H,7,9);1H
InChI Key SDLFWJYDSLVYIV-UHFFFAOYSA-N
CanonicalSyTyLFy 17c1c49f805a2242
TotalMolweight 167.639
Molecular Weight 131.178
MonoisotopicMass 131.105862
CLogP -1.7612
CLogS -0.235
H Acceptors 4
H Donors 2
TotalSurfaceArea 113.57
Relative PSA 0.38144
PolarSurfaceArea 58.36
Drug-likeness -0.9995
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant low
Nasty Functions hydrazine
Shape Index 0.77778
Molecula Flexibility 0.78502
Molecular Complexity 0.51986
Fragments 2
Non HAtoms 9
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 3
Sp3Atoms 6
Amines 1
AlkylAmines 1
BasicNitrogens 1

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