(1E)-N-Dodecyldodecan-1-imine

CAS Number: 17248-32-7
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CCCCCCCCCCCC/N=C/CCCCCCCCCCC
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C24H49N
Molecular Weight
351.66
Drug-likeness
-16.849
CAS
17248-32-7
InChI key
BEQPUKSNIDHWRY-WJTDDFOZSA-N
SMILES
CCCCCCCCCCCC/N=C/CCCCCCCCCCC
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 17248-32-7
Molecule Name (1E)-N-Dodecyldodecan-1-imine
Molecular Formula C24H49N
SMILES CCCCCCCCCCCC/N=C/CCCCCCCCCCC
InChI InChI=1S/C24H49N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h23H,3-22,24H2,1-2H3/b25-23+
InChI Key BEQPUKSNIDHWRY-WJTDDFOZSA-N
CanonicalSyTyLFy 15fecedd5f4b4877
TotalMolweight 351.66
Molecular Weight 351.66
MonoisotopicMass 351.386499
CLogP 9.4589
CLogS -6.448
H Acceptors 1
TotalSurfaceArea 351.74
Relative PSA 0.032723
PolarSurfaceArea 12.36
Drug-likeness -16.849
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions imine/hydrazone of aldehyde
Shape Index 1
Molecula Flexibility 0.57303
Molecular Complexity 0.41291
Fragments 1
Non HAtoms 25
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 21
Sp3Atoms 23
BasicNitrogens 1

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