2-(Cyclohexyloxy)ethan-1-amine--hydrogen chloride (1/1)

CAS Number: 1193387-70-0
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NCCOC1CCCCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H17NO
Molecular Weight
143.229
Drug-likeness
-7.3341
CAS
1193387-70-0
InChI key
ODXZQIXNOIOPRY-UHFFFAOYSA-N
SMILES
NCCOC1CCCCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1193387-70-0
Molecule Name 2-(Cyclohexyloxy)ethan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H17NO
SMILES NCCOC1CCCCC1.Cl
InChI InChI=1S/C8H17NO.ClH/c9-6-7-10-8-4-2-1-3-5-8;/h8H,1-7,9H2;1H
InChI Key ODXZQIXNOIOPRY-UHFFFAOYSA-N
CanonicalSyTyLFy e4335bb21ad21b6d
TotalMolweight 179.69
Molecular Weight 143.229
MonoisotopicMass 143.131014
CLogP 0.7096
CLogS -1.748
H Acceptors 2
H Donors 1
TotalSurfaceArea 127.34
Relative PSA 0.19845
PolarSurfaceArea 35.25
Drug-likeness -7.3341
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.8
Molecula Flexibility 0.45504
Molecular Complexity 0.49698
Fragments 2
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Sp3Atoms 10
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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