(2,2-Dimethylpropyl)(diphenyl)phosphane

CAS Number: 7660-85-7
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CC(C)(C)CP(c1ccccc1)c1ccccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: low
Formula
C17H21P
Molecular Weight
256.328
Drug-likeness
-21.668
CAS
7660-85-7
InChI key
NLSOYYPJGJBGRT-UHFFFAOYSA-N
SMILES
CC(C)(C)CP(c1ccccc1)c1ccccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 7660-85-7
Molecule Name (2,2-Dimethylpropyl)(diphenyl)phosphane
Molecular Formula C17H21P
SMILES CC(C)(C)CP(c1ccccc1)c1ccccc1
InChI InChI=1S/C17H21P/c1-17(2,3)14-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChI Key NLSOYYPJGJBGRT-UHFFFAOYSA-N
CanonicalSyTyLFy 38a36472ef8e3285
TotalMolweight 256.328
Molecular Weight 256.328
MonoisotopicMass 256.138087
CLogP 5.1992
CLogS -4.815
TotalSurfaceArea 200.72
PolarSurfaceArea 13.59
Drug-likeness -21.668
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant low
Shape Index 0.5
Molecula Flexibility 0.58662
Molecular Complexity 0.55303
Fragments 1
Non HAtoms 18
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 4
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 12
Sp3Atoms 6
Symmetricatoms 10

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