Cas no 94616-61-2 (1,4,7,10-Tetraoxacyclododecane-2-methanamine)
94616-61-2 structure
Product Name:1,4,7,10-Tetraoxacyclododecane-2-methanamine
CAS No:94616-61-2
MF:C9H19NO4
MW:205.25146317482
CID:798687
PubChem ID:13148552
Update Time:2025-04-19
1,4,7,10-Tetraoxacyclododecane-2-methanamine Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10-Tetraoxacyclododecane-2-methanamine
- (+/-)-2-(aminoethyl)-12-crown-4
- 1,4,7,10-tetraoxacyclododec-2-ylmethanamine
- DTXSID00522090
- SCHEMBL6602399
- 94616-61-2
- 1-(1,4,7,10-Tetraoxacyclododecan-2-yl)methanamine
-
- Inchi： 1S/C9H19NO4/c10-7-9-8-13-4-3-11-1-2-12-5-6-14-9/h9H,1-8,10H2
- InChI Key： GCVMJCMWRYZSGD-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOCC1CN
Computed Properties
- Exact Mass: 205.13140809g/mol
- Monoisotopic Mass: 205.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 134
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- Density: 1.017
- Boiling Point: 331.1°Cat760mmHg
- Flash Point: 165°C
- Refractive Index: 1.424
1,4,7,10-Tetraoxacyclododecane-2-methanamine Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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