Glucosamine hydrochloride

CAS Number: 66-84-2
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SMILES not available in database
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C6H13NO5
Molecular Weight
179.171
Drug-likeness
0.12186
CAS
66-84-2
InChI key
QKPLRMLTKYXDST-XXIBIAAKSA-N
SMILES
Not available
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 66-84-2
Molecule Name Glucosamine hydrochloride
Molecular Formula HCl.C6H13NO5
InChI InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4+,5+,6?;/m1./s1
InChI Key QKPLRMLTKYXDST-XXIBIAAKSA-N
CanonicalSyTyLFy 57b395c0f4292317
TotalMolweight 215.632
Molecular Weight 179.171
MonoisotopicMass 179.079374
CLogP -3.0186
CLogS 0.175
H Acceptors 6
H Donors 5
TotalSurfaceArea 120.18
Relative PSA 0.64628
PolarSurfaceArea 116.17
Drug-likeness 0.12186
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.58333
Molecula Flexibility 0.39614
Molecular Complexity 0.74997
Fragments 2
Non HAtoms 12
NonCHAtoms 6
Electronegative Atoms 6
StereoCenters 5
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 12
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon unknown chirality

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