(Morpholin-2-yl)methanol--hydrogen chloride (1/1)

CAS Number: 144053-98-5
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OCC1OCCNC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H11NO2
Molecular Weight
117.147
Drug-likeness
0.8565
CAS
144053-98-5
InChI key
NBGXGDBTUJNTKJ-NUBCRITNSA-N
SMILES
OCC1OCCNC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 144053-98-5
Molecule Name (Morpholin-2-yl)methanol--hydrogen chloride (1/1)
Molecular Formula HCl.C5H11NO2
SMILES OCC1OCCNC1.Cl
InChI InChI=1S/C5H11NO2.ClH/c7-4-5-3-6-1-2-8-5;/h5-7H,1-4H2;1H/t5-;/m1./s1
InChI Key NBGXGDBTUJNTKJ-NUBCRITNSA-N
CanonicalSyTyLFy a75b7c475d16169
TotalMolweight 153.608
Molecular Weight 117.147
MonoisotopicMass 117.078979
CLogP -1.0215
CLogS -0.107
H Acceptors 3
H Donors 2
TotalSurfaceArea 95.35
Relative PSA 0.36245
PolarSurfaceArea 41.49
Drug-likeness 0.8565
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecula Flexibility 0.43264
Molecular Complexity 0.59947
Fragments 2
Non HAtoms 8
NonCHAtoms 3
Electronegative Atoms 3
StereoCenters 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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