Nonan-1-amine--hydrogen chloride (1/1)

CAS Number: 2016-39-9
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CCCCCCCCCN.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C9H21N
Molecular Weight
143.273
Drug-likeness
-24.497
CAS
2016-39-9
InChI key
IMGHCWMUWVHYCO-UHFFFAOYSA-N
SMILES
CCCCCCCCCN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 2016-39-9
Molecule Name Nonan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C9H21N
SMILES CCCCCCCCCN.Cl
InChI InChI=1S/C9H21N.ClH/c1-2-3-4-5-6-7-8-9-10;/h2-10H2,1H3;1H
InChI Key IMGHCWMUWVHYCO-UHFFFAOYSA-N
CanonicalSyTyLFy 1594c7416ccd09
TotalMolweight 179.734
Molecular Weight 143.273
MonoisotopicMass 143.167399
CLogP 2.8335
CLogS -2.443
H Acceptors 1
H Donors 1
TotalSurfaceArea 144.36
Relative PSA 0.10578
PolarSurfaceArea 26.02
Drug-likeness -24.497
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.51741
Molecular Complexity 0.44794
Fragments 2
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 7
Sp3Atoms 10
Amines 1
AlkylAmines 1
BasicNitrogens 1

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