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

CAS Number: 625856-24-8
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CC(C)P(C(C)C)c1c(C)cccc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C13H21P
Molecular Weight
208.284
Drug-likeness
-20.024
CAS
625856-24-8
InChI key
ZVAAAXWUTFKQTD-UHFFFAOYSA-N
SMILES
CC(C)P(C(C)C)c1c(C)cccc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 625856-24-8
Molecule Name (2-Methylphenyl)di(propan-2-yl)phosphane
Molecular Formula C13H21P
SMILES CC(C)P(C(C)C)c1c(C)cccc1
InChI InChI=1S/C13H21P/c1-10(2)14(11(3)4)13-9-7-6-8-12(13)5/h6-11H,1-5H3
InChI Key ZVAAAXWUTFKQTD-UHFFFAOYSA-N
CanonicalSyTyLFy 8fc7ee207de72c0f
TotalMolweight 208.284
Molecular Weight 208.284
MonoisotopicMass 208.138087
CLogP 4.0918
CLogS -4.101
TotalSurfaceArea 166.31
PolarSurfaceArea 13.59
Drug-likeness -20.024
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.37557
Molecular Complexity 0.53731
Fragments 1
Non HAtoms 14
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 3
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 8
Symmetricatoms 4

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