(2-Phenylethyl)di(propan-2-yl)phosphane

CAS Number: 311817-70-6
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CC(C)P(CCc1ccccc1)C(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C14H23P
Molecular Weight
222.311
Drug-likeness
-22.001
CAS
311817-70-6
InChI key
YRCRBMGGDUYSIJ-UHFFFAOYSA-N
SMILES
CC(C)P(CCc1ccccc1)C(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 311817-70-6
Molecule Name (2-Phenylethyl)di(propan-2-yl)phosphane
Molecular Formula C14H23P
SMILES CC(C)P(CCc1ccccc1)C(C)C
InChI InChI=1S/C14H23P/c1-12(2)15(13(3)4)11-10-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChI Key YRCRBMGGDUYSIJ-UHFFFAOYSA-N
CanonicalSyTyLFy 4855277d3e6a823e
TotalMolweight 222.311
Molecular Weight 222.311
MonoisotopicMass 222.153737
CLogP 4.1642
CLogS -4.049
TotalSurfaceArea 181.57
PolarSurfaceArea 13.59
Drug-likeness -22.001
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecula Flexibility 0.67931
Molecular Complexity 0.45401
Fragments 1
Non HAtoms 15
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 5
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 9
Symmetricatoms 6

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