Tricyclohexylphosphane--hydrogen chloride (1/1)

CAS Number: 98297-67-7
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C(CC1)CCC1P(C1CCCCC1)C1CCCCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C18H33P
Molecular Weight
280.434
Drug-likeness
-24.704
CAS
98297-67-7
InChI key
UBKOPMLYPZOPAX-UHFFFAOYSA-N
SMILES
C(CC1)CCC1P(C1CCCCC1)C1CCCCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 98297-67-7
Molecule Name Tricyclohexylphosphane--hydrogen chloride (1/1)
Molecular Formula HCl.C18H33P
SMILES C(CC1)CCC1P(C1CCCCC1)C1CCCCC1.Cl
InChI InChI=1S/C18H33P.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h16-18H,1-15H2;1H
InChI Key UBKOPMLYPZOPAX-UHFFFAOYSA-N
CanonicalSyTyLFy e5dcf0d7b280deb3
TotalMolweight 316.895
Molecular Weight 280.434
MonoisotopicMass 280.231987
CLogP 5.301
CLogS -5.798
TotalSurfaceArea 223.65
PolarSurfaceArea 13.59
Drug-likeness -24.704
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.47368
Molecula Flexibility 0.38884
Molecular Complexity 0.4995
Fragments 2
Non HAtoms 19
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 3
Rings Closures 3
Small Rings 3
Sp3Atoms 19
Symmetricatoms 14

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