Cas no 29783-72-0 (1,4,7,10,13-Pentaazacyclohexadecane)
29783-72-0 structure
Product Name:1,4,7,10,13-Pentaazacyclohexadecane
CAS No:29783-72-0
MF:C11H27N5
MW:229.36558175087
CID:238048
PubChem ID:6396329
Update Time:2025-04-19
1,4,7,10,13-Pentaazacyclohexadecane Chemical and Physical Properties
Names and Identifiers
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- 1,4,7,10,13-Pentaazacyclohexadecane
- 1,4,7,10,13-pentazacyclohexadecane
- DTXSID20423151
- SCHEMBL577659
- 29783-72-0
- NAPSAMRUCLUKEP-UHFFFAOYSA-N
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- Inchi： 1S/C11H27N5/c1-2-12-4-6-14-8-10-16-11-9-15-7-5-13-3-1/h12-16H,1-11H2
- InChI Key： NAPSAMRUCLUKEP-UHFFFAOYSA-N
- SMILES： N1CCNCCNCCNCCNCCC1
Computed Properties
- Exact Mass: 229.22691
- Monoisotopic Mass: 229.22664588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.8
- Topological Polar Surface Area: 60.2?2
Experimental Properties
- PSA: 60.15
1,4,7,10,13-Pentaazacyclohexadecane Related Literature
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1. Quantitative study of the interactions of ATP with amines and amino acidsConcetta De Stefano,Claudia Foti,Antonio Gianguzza,Ottavia Giuffrè,Silvio Sammartano J. Chem. Soc. Faraday Trans. 1996 92 1511
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2. Binding of carboxylic ligands by protonated aminesAlessandro De Robertis,Concetta De Stefano,Ottavia Giuffré,Silvio Sammartano J. Chem. Soc. Faraday Trans. 1996 92 4219
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3. Potentiometric and spectroscopic study of copper(II) and nickel(II) complexes of trans-dioxopentaaza macrocycles in aqueous solutionMathieu W. A. Steenland,Ilse Dierck,Gerrit G. Herman,Bart Devreese,Werner Lippens,Jozef Van Beeumen,André M. Goeminne J. Chem. Soc. Dalton Trans. 1997 3637
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4. Potentiometric and spectroscopic study of copper(II) and nickel(II) complexes of trans-dioxopentaaza macrocycles in aqueous solutionMathieu W. A. Steenland,Ilse Dierck,Gerrit G. Herman,Bart Devreese,Werner Lippens,Jozef Van Beeumen,André M. Goeminne J. Chem. Soc. Dalton Trans. 1997 3637
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5. Potentiometric and spectroscopic study of copper(II) and nickel(II) complexes of trans-dioxopentaaza macrocycles in aqueous solutionMathieu W. A. Steenland,Ilse Dierck,Gerrit G. Herman,Bart Devreese,Werner Lippens,Jozef Van Beeumen,André M. Goeminne J. Chem. Soc. Dalton Trans. 1997 3637
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