Cas no 24772-41-6 (1,5,9,13-Tetraazacyclohexadecane)
24772-41-6 structure
Product Name:1,5,9,13-Tetraazacyclohexadecane
CAS No:24772-41-6
MF:C12H28N4
MW:228.377522468567
CID:238536
PubChem ID:6398053
Update Time:2025-04-19
1,5,9,13-Tetraazacyclohexadecane Chemical and Physical Properties
Names and Identifiers
-
- 1,5,9,13-Tetraazacyclohexadecane
- 1,5,9,13-tetrazacyclohexadecane
- [16]aneN4
- 24772-41-6
- YXPRJLINFVQPDT-UHFFFAOYSA-N
- SCHEMBL472132
- DTXSID00423210
-
- Inchi： 1S/C12H28N4/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h13-16H,1-12H2
- InChI Key： YXPRJLINFVQPDT-UHFFFAOYSA-N
- SMILES： N1CCCNCCCNCCCNCCC1
Computed Properties
- Exact Mass: 228.23164
- Monoisotopic Mass: 228.23139691g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 101
- 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: -0.3
- Topological Polar Surface Area: 48.1?2
Experimental Properties
- PSA: 48.12
1,5,9,13-Tetraazacyclohexadecane Related Literature
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1. Prediction and observation of the structure of the zinc(II) complex of 1,5,9,13-tetraazacyclohexadecane. A crystallographic and molecular mechanics study of the conformations assumed by the macrocycle when complexed with metal ionsRobert Luckay,Tracy E. Chantson,Joseph H. Reibenspies,Robert D. Hancock J. Chem. Soc. Dalton Trans. 1995 1363
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2. Stability of complexes of the macrocycles 1,5,9,13-tetraazacyclohexadecane and 1,4,7,11-tetraazacyclotetradecane with metal ions. Effect of large hole size and of chelate ring sequenceRobert C. Luckay,Robert D. Hancock J. Chem. Soc. Dalton Trans. 1991 1491
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Peter W. Thulstrup,Louise Broge,Erik Larsen,Johan Springborg ([35]adamanzane)cobalt(ii). Peter W. Thulstrup Louise Broge Erik Larsen Johan Springborg Dalton Trans. 2003 3199
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4. Kinetics of acid-catalysed dissociation of tetraazamacrocyclic ligand complexes of copper(II)Wei-Jen Lan,Chung-Sun Chung J. Chem. Soc. Dalton Trans. 1994 191
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5. Macrocyclic selenoether complexes of nickel(II). Synthesis and properties of [NiX2([16]aneSe4)] ([16]aneSe4?=?1,5,9,13-tetraselenacyclohexadecane, X?=?Cl, Br or I) and [NiX2(MeSeCH2CH2SeMe)2]?*Maxwell K. Davies,William Levason,Gillian Reid J. Chem. Soc. Dalton Trans. 1998 2185
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