Cas no 216101-03-0 (1,4,7,10-Tetraazacyclododecane, 1,4-bis(phenylmethyl)-)
216101-03-0 structure
Product Name:1,4,7,10-Tetraazacyclododecane, 1,4-bis(phenylmethyl)-
CAS No:216101-03-0
MF:C22H32N4
MW:352.516284942627
CID:1402897
PubChem ID:10904307
Update Time:2025-04-20
1,4,7,10-Tetraazacyclododecane, 1,4-bis(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10-Tetraazacyclododecane, 1,4-bis(phenylmethyl)-
- 1,4-dibenzyl-1,4,7,10-tetrazacyclododecane
- SCHEMBL9538814
- DTXSID80447853
- 216101-03-0
-
- Inchi： 1S/C22H32N4/c1-3-7-21(8-4-1)19-25-15-13-23-11-12-24-14-16-26(18-17-25)20-22-9-5-2-6-10-22/h1-10,23-24H,11-20H2
- InChI Key： KERINLRKTNUNQO-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CCNCCNCCN(CC2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 352.26296
- Monoisotopic Mass: 352.26269704g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 316
- 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: 2.2
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 30.54
1,4,7,10-Tetraazacyclododecane, 1,4-bis(phenylmethyl)- Related Literature
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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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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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