Azetidine--hydrogen chloride (1/1)

CAS Number: 36520-39-5
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C1CNC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C3H7N
Molecular Weight
57.0956
Drug-likeness
0.19917
CAS
36520-39-5
InChI key
HGQULGDOROIPJN-UHFFFAOYSA-N
SMILES
C1CNC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 36520-39-5
Molecule Name Azetidine--hydrogen chloride (1/1)
Molecular Formula HCl.C3H7N
SMILES C1CNC1.Cl
InChI InChI=1S/C3H7N.ClH/c1-2-4-3-1;/h4H,1-3H2;1H
InChI Key HGQULGDOROIPJN-UHFFFAOYSA-N
CanonicalSyTyLFy 66054e439e59890
TotalMolweight 93.5565
Molecular Weight 57.0956
MonoisotopicMass 57.057849
CLogP 0.0605
CLogS -0.585
H Acceptors 1
H Donors 1
TotalSurfaceArea 52.74
Relative PSA 0.21729
PolarSurfaceArea 12.03
Drug-likeness 0.19917
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 4
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Sp3Atoms 4
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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