Cas no 110078-40-5 (1,4,8,11-Tetraazacyclotetradecane,1,1'-(1,3-propanediyl)bis-)
110078-40-5 structure
Product Name:1,4,8,11-Tetraazacyclotetradecane,1,1'-(1,3-propanediyl)bis-
CAS No:110078-40-5
MF:C23H52N8
MW:440.712584495544
CID:175668
PubChem ID:453871
Update Time:2025-04-19
1,4,8,11-Tetraazacyclotetradecane,1,1'-(1,3-propanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,8,11-Tetraazacyclotetradecane,1,1'-(1,3-propanediyl)bis-
- 1-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propyl]-1,4,8,11-tetrazacyclotetradecane
- JM 2763
- SCHEMBL599000
- 1,3-di(1,4,8,11-tetraazacyclotetradecanyl)propane
- N,N'-Bicyclampropane
- CHEMBL28967
- DTXSID10149136
- N,N'-Bis(1,4,8,11-tetra-Azatetradecane)1,3-propane
- 110078-40-5
- JM2763
- AMD2763
- 1,4,8,11-Tetraazatetradecane, 1,1'-(1,3-propanediyl)bis-
-
- Inchi： 1S/C23H52N8/c1-6-24-12-14-26-10-3-18-30(22-16-28-8-1)20-5-21-31-19-4-11-27-15-13-25-7-2-9-29-17-23-31/h24-29H,1-23H2
- InChI Key： SCMFKRCYKTYWIW-UHFFFAOYSA-N
- SMILES： N1(CCNCCCNCCNCCC1)CCCN1CCNCCCNCCNCCC1
Computed Properties
- Exact Mass: 440.43196
- Monoisotopic Mass: 440.431
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 31
- Rotatable Bond Count: 4
- Complexity: 351
- 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: -0.9
- Topological Polar Surface Area: 78.7?2
Experimental Properties
- Density: 0.908
- Boiling Point: 608.2°C at 760 mmHg
- Flash Point: 332.5°C
- Refractive Index: 1.454
- PSA: 78.66
1,4,8,11-Tetraazacyclotetradecane,1,1'-(1,3-propanediyl)bis- Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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