Dipropylamine Hydrochloride

CAS Number: 5326-84-1
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CCCNCCC.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
HCl.C6H15N
Molecular Weight
101.192
Drug-likeness
0.077314
CAS
5326-84-1
InChI key
GAZIBGHLWYHBDT-UHFFFAOYSA-N
SMILES
CCCNCCC.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 5326-84-1
Molecule Name Dipropylamine Hydrochloride
Molecular Formula HCl.C6H15N
SMILES CCCNCCC.Cl
InChI InChI=1S/C6H15N.ClH/c1-3-5-7-6-4-2;/h7H,3-6H2,1-2H3;1H
InChI Key GAZIBGHLWYHBDT-UHFFFAOYSA-N
CanonicalSyTyLFy 789e8c1cca1b0701
TotalMolweight 137.653
Molecular Weight 101.192
MonoisotopicMass 101.120449
CLogP 1.3193
CLogS -1.309
H Acceptors 1
H Donors 1
TotalSurfaceArea 104.52
Relative PSA 0.10964
PolarSurfaceArea 12.03
Drug-likeness 0.077314
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 1
Molecula Flexibility 0.62087
Molecular Complexity 0.3662
Fragments 2
Non HAtoms 7
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 4
Sp3Atoms 7
Symmetricatoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 1

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