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

CAS Number: 1838-04-6
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CCCCCCCCCCCCCCN.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C14H31N
Molecular Weight
213.407
Drug-likeness
-24.497
CAS
1838-04-6
InChI key
KKWUACQXLWHLCX-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1838-04-6
Molecule Name Tetradecan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C14H31N
SMILES CCCCCCCCCCCCCCN.Cl
InChI InChI=1S/C14H31N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;/h2-15H2,1H3;1H
InChI Key KKWUACQXLWHLCX-UHFFFAOYSA-N
CanonicalSyTyLFy 5ce9cc354f0b3c68
TotalMolweight 249.868
Molecular Weight 213.407
MonoisotopicMass 213.245649
CLogP 5.1055
CLogS -3.793
H Acceptors 1
H Donors 1
TotalSurfaceArea 213.16
Relative PSA 0.071636
PolarSurfaceArea 26.02
Drug-likeness -24.497
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.50846
Molecular Complexity 0.29706
Fragments 2
Non HAtoms 15
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 12
Sp3Atoms 15
Amines 1
AlkylAmines 1
BasicNitrogens 1

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