2-Aminoethanol hydrochloride

CAS Number: 2002-24-6
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NCCO.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: high
Formula
HCl.C2H7NO
Molecular Weight
61.0836
Drug-likeness
-2.0495
CAS
2002-24-6
InChI key
PMUNIMVZCACZBB-UHFFFAOYSA-N
SMILES
NCCO.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 2002-24-6
Molecule Name 2-Aminoethanol hydrochloride
Molecular Formula HCl.C2H7NO
SMILES NCCO.Cl
InChI InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChI Key PMUNIMVZCACZBB-UHFFFAOYSA-N
CanonicalSyTyLFy 83d2fc16325b8142
TotalMolweight 97.5445
Molecular Weight 61.0836
MonoisotopicMass 61.052764
CLogP -1.274
CLogS -0.046
H Acceptors 2
H Donors 2
TotalSurfaceArea 55.89
Relative PSA 0.5076
PolarSurfaceArea 46.25
Drug-likeness -2.0495
Mutagenic high
Tumorigenic none
Reproductive Effective high
Irritant high
Shape Index 1
Molecula Flexibility 0.78563
Fragments 2
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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