Cas no 646052-73-5 (1,4,8,11-Tetraazacyclotetradecane-1-ethanamine, N-methyl-)
646052-73-5 structure
Product Name:1,4,8,11-Tetraazacyclotetradecane-1-ethanamine, N-methyl-
CAS No:646052-73-5
MF:C13H31N5
MW:257.418742418289
CID:421855
PubChem ID:71379528
Update Time:2025-04-19
1,4,8,11-Tetraazacyclotetradecane-1-ethanamine, N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,8,11-Tetraazacyclotetradecane-1-ethanamine, N-methyl-
- N-methyl-2-(1,4,8,11-tetrazacyclotetradec-1-yl)ethanamine
- N-Methyl-2-(1,4,8,11-tetraazacyclotetradecan-1-yl)ethan-1-amine
- 646052-73-5
- DTXSID60802087
-
- Inchi： 1S/C13H31N5/c1-14-9-12-18-11-3-6-16-8-7-15-4-2-5-17-10-13-18/h14-17H,2-13H2,1H3
- InChI Key： QFVAHVXHLXXFDC-UHFFFAOYSA-N
- SMILES： N1(CCNC)CCNCCCNCCNCCC1
Computed Properties
- Exact Mass: 257.25823
- Monoisotopic Mass: 257.25794601g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 177
- 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
- Topological Polar Surface Area: 51.4?2
Experimental Properties
- PSA: 51.36
1,4,8,11-Tetraazacyclotetradecane-1-ethanamine, N-methyl- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jason Wan Lab Chip, 2020,20, 4528-4538
646052-73-5 (1,4,8,11-Tetraazacyclotetradecane-1-ethanamine, N-methyl-) Related Products
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