2-Cyclopropylethan-1-amine--hydrogen chloride (1/1)

CAS Number: 89381-08-8
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NCCC1CC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H11N
Molecular Weight
85.1493
Drug-likeness
-0.52806
CAS
89381-08-8
InChI key
BFPCWNJLKUBDAR-UHFFFAOYSA-N
SMILES
NCCC1CC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 89381-08-8
Molecule Name 2-Cyclopropylethan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C5H11N
SMILES NCCC1CC1.Cl
InChI InChI=1S/C5H11N.ClH/c6-4-3-5-1-2-5;/h5H,1-4,6H2;1H
InChI Key BFPCWNJLKUBDAR-UHFFFAOYSA-N
CanonicalSyTyLFy c8f627f7765df6da
TotalMolweight 121.61
Molecular Weight 85.1493
MonoisotopicMass 85.089149
CLogP 0.4252
CLogS -1.339
H Acceptors 1
H Donors 1
TotalSurfaceArea 76.06
Relative PSA 0.20076
PolarSurfaceArea 26.02
Drug-likeness -0.52806
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.83333
Molecula Flexibility 0.52698
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 6
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 6
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1

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