Tripropylamine hydrochloride

CAS Number: 14488-44-9
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CCCN(CCC)CCC.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C9H21N
Molecular Weight
143.273
Drug-likeness
2.655
CAS
14488-44-9
InChI key
BMXILUZRCXPKOI-UHFFFAOYSA-N
SMILES
CCCN(CCC)CCC.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 14488-44-9
Molecule Name Tripropylamine hydrochloride
Molecular Formula HCl.C9H21N
SMILES CCCN(CCC)CCC.Cl
InChI InChI=1S/C9H21N.ClH/c1-4-7-10(8-5-2)9-6-3;/h4-9H2,1-3H3;1H
InChI Key BMXILUZRCXPKOI-UHFFFAOYSA-N
CanonicalSyTyLFy 68a37dabdc56d25a
TotalMolweight 179.734
Molecular Weight 143.273
MonoisotopicMass 143.167399
CLogP 2.4465
CLogS -1.517
H Acceptors 1
TotalSurfaceArea 143.14
Relative PSA 0.024801
PolarSurfaceArea 3.24
Drug-likeness 2.655
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.77351
Molecular Complexity 0.40236
Fragments 2
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 6
Sp3Atoms 10
Symmetricatoms 6
Amines 1
AlkylAmines 1
BasicNitrogens 1

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