Cas no 110076-38-5 (1,9-didodecyl-1,5,9,13-tetrazacyclohexadecane)
110076-38-5 structure
Product Name:1,9-didodecyl-1,5,9,13-tetrazacyclohexadecane
CAS No:110076-38-5
MF:C36H76N4
MW:565.0154504776
CID:1190332
PubChem ID:71335090
Update Time:2025-04-20
1,9-didodecyl-1,5,9,13-tetrazacyclohexadecane Chemical and Physical Properties
Names and Identifiers
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- 1,9-didodecyl-1,5,9,13-tetrazacyclohexadecane
- 1,9-DIDODECYL-1,5,9,13-TETRAAZACYCLOHEXADECANE
- DTXSID70763110
- 110076-38-5
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- Inchi： 1S/C36H76N4/c1-3-5-7-9-11-13-15-17-19-21-31-39-33-23-27-37-29-25-35-40(36-26-30-38-28-24-34-39)32-22-20-18-16-14-12-10-8-6-4-2/h37-38H,3-36H2,1-2H3
- InChI Key： BLSBVIKCCCWCGZ-UHFFFAOYSA-N
- SMILES： N1(CCCNCCCN(CCCNCCC1)CCCCCCCCCCCC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 564.60699844g/mol
- Monoisotopic Mass: 564.60699844g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 40
- Rotatable Bond Count: 22
- Complexity: 414
- 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: 11.8
- Topological Polar Surface Area: 30.5?2
1,9-didodecyl-1,5,9,13-tetrazacyclohexadecane Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
110076-38-5 (1,9-didodecyl-1,5,9,13-tetrazacyclohexadecane) Related Products
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