2-(2-Methylhydrazinyl)ethan-1-ol--hydrogen chloride (1/1)

CAS Number: 50783-19-2
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CNNCCO.Cl
Molecule Information
Mutagenic: high Tumorigenic: low Irritant: none
Formula
HCl.C3H10N2O
Molecular Weight
90.1254
Drug-likeness
1.0068
CAS
50783-19-2
InChI key
JURMIVQANANOFP-UHFFFAOYSA-N
SMILES
CNNCCO.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
low
Handling Watch
Irritant: none | Reproductive effective: low
PropertyValue
CAS Number 50783-19-2
Molecule Name 2-(2-Methylhydrazinyl)ethan-1-ol--hydrogen chloride (1/1)
Molecular Formula HCl.C3H10N2O
SMILES CNNCCO.Cl
InChI InChI=1S/C3H10N2O.ClH/c1-4-5-2-3-6;/h4-6H,2-3H2,1H3;1H
InChI Key JURMIVQANANOFP-UHFFFAOYSA-N
CanonicalSyTyLFy c9d32833f1a1b348
TotalMolweight 126.586
Molecular Weight 90.1254
MonoisotopicMass 90.079313
CLogP -1.9038
CLogS -0.199
H Acceptors 3
H Donors 3
TotalSurfaceArea 82.55
Relative PSA 0.43634
PolarSurfaceArea 44.29
Drug-likeness 1.0068
Mutagenic high
Tumorigenic low
Reproductive Effective low
Irritant none
Shape Index 1
Molecula Flexibility 0.84601
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 6
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 3
Sp3Atoms 6

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