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Home > Other Heterocycles > 331465-71-5
331465-71-5 | 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane
CAS No: 331465-71-5 Catalog No: AG00332B MDL No:MFCD03840347
Product Description
Catalog Number:
AG00332B
Chemical Name:
2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane
CAS Number:
331465-71-5
Molecular Formula:
C18H39N4P
Molecular Weight:
342.5028
MDL Number:
MFCD03840347
IUPAC Name:
2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
InChI:
InChI=1S/C18H39N4P/c1-16(2)13-20-10-7-19-8-11-21(14-17(3)4)23(20)22(12-9-19)15-18(5)6/h16-18H,7-15H2,1-6H3
InChI Key:
WFHPXSHLCFHEIA-UHFFFAOYSA-N
SMILES:
CC(CN1CCN2CCN(P1N(CC2)CC(C)C)CC(C)C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.291g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.512g/mol
Monoisotopic Mass:
342.291g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Syntheses and structural characterizations of anionic borane-capped ammonia borane oligomers: evidence for ammonia borane H2 release via a base-promoted anionic dehydropolymerization mechanism. | Journal of the American Chemical Society 20111026 |
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