Cas no 16698-06-9 (1H-Azepine, 1,1'-(1,6-hexanediyl)bis[hexahydro-)
16698-06-9 structure
Product Name:1H-Azepine, 1,1'-(1,6-hexanediyl)bis[hexahydro-
CAS No:16698-06-9
MF:C18H36N2
MW:280.49184513092
CID:1347219
PubChem ID:3345497
Update Time:2025-04-20
1H-Azepine, 1,1'-(1,6-hexanediyl)bis[hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1-[6-(azepan-1-yl)hexyl]azepane
- DTXSID10391658
- 1H-Azepine, 1,1'-(1,6-hexanediyl)bis[hexahydro-
- SCHEMBL3156252
- 16698-06-9
-
- Inchi： 1S/C18H36N2/c1-2-8-14-19(13-7-1)17-11-5-6-12-18-20-15-9-3-4-10-16-20/h1-18H2
- InChI Key： VPHHHIFQLGTBRM-UHFFFAOYSA-N
- SMILES： N1(CCCCCCN2CCCCCC2)CCCCCC1
Computed Properties
- Exact Mass: 280.28808
- Monoisotopic Mass: 280.287849157g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 190
- 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: 4.1
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
1H-Azepine, 1,1'-(1,6-hexanediyl)bis[hexahydro- Related Literature
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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