CAS
17154-34-6 Purity
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17154-34-6 Purity
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1,6-Bis(diphenylphosphino)hexane
CAS
19845-69-3
Catalog Number
ACM19845693-1
Category
Organic Phosphine Compounds
Molecular Weight
454.52
Molecular Formula
C30H32P2
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Specification
Synonyms
Hexamethylenebis(diphenylphosphine); 6-Diphenylphosphanylhexyl(Diphenyl)Phosphane
IUPAC Name
6-diphenylphosphanylhexyl(diphenyl)phosphane
Canonical SMILES
C1=CC=C(C=C1)P(CCCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4;
InChI
GPORFKPYXATYNX-UHFFFAOYSA-N
InChI Key
InChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2
Boiling Point
564.0±33.0 °C(Predicted)
Melting Point
124-126 °C(lit.)
Appearance
Solid
Application
suzuki reaction
Complexity
387
Covalently-Bonded Unit Count
1
Exact Mass
454.198g/mol
Heavy Atom Count
32
Isomeric SMILES
C1=CC=C(C=C1)P(CCCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Monoisotopic Mass
454.198g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
0A^2
What is the molecular formula of 1,6-Bis(diphenylphosphino)hexane?
The molecular formula is C30H32P2.
What is the molecular weight of 1,6-Bis(diphenylphosphino)hexane?
The molecular weight is 454.5 g/mol.
What is the IUPAC Name of 1,6-Bis(diphenylphosphino)hexane?
The IUPAC Name is 6-diphenylphosphanylhexyl(diphenyl)phosphane.
What is the InChIKey of 1,6-Bis(diphenylphosphino)hexane?
The InChIKey is GPORFKPYXATYNX-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1,6-Bis(diphenylphosphino)hexane have?
It has 0 hydrogen bond donor count.
What is the XLogP3-AA value of 1,6-Bis(diphenylphosphino)hexane?
The XLogP3-AA value is 7.3.
How many rotatable bond counts does 1,6-Bis(diphenylphosphino)hexane have?
It has 11 rotatable bond counts.
What is the exact mass of 1,6-Bis(diphenylphosphino)hexane?
The exact mass is 454.19792502 g/mol.
How many heavy atom counts does 1,6-Bis(diphenylphosphino)hexane have?
It has 32 heavy atom counts.
Is 1,6-Bis(diphenylphosphino)hexane a canonicalized compound?
Yes, it is a canonicalized compound.
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