Cas no 70926-42-0 (7,16-Docosanediamine)
7,16-Docosanediamine structure
Product Name:7,16-Docosanediamine
CAS No:70926-42-0
MF:C22H48N2
MW:340.629926681519
CID:546386
PubChem ID:21285358
Update Time:2025-04-19
7,16-Docosanediamine Chemical and Physical Properties
Names and Identifiers
-
- 7,16-Docosanediamine
- docosane-7,16-diamine
- 7,16-diaminodocosane
- 70926-42-0
- SCHEMBL9814193
- UXWHXEQADOLPLB-UHFFFAOYSA-N
- DTXSID20612003
-
- Inchi： 1S/C22H48N2/c1-3-5-7-13-17-21(23)19-15-11-9-10-12-16-20-22(24)18-14-8-6-4-2/h21-22H,3-20,23-24H2,1-2H3
- InChI Key： UXWHXEQADOLPLB-UHFFFAOYSA-N
- SMILES： NC(CCCCCC)CCCCCCCCC(CCCCCC)N
Computed Properties
- Exact Mass: 340.38204
- Monoisotopic Mass: 340.381749540g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 19
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.8
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
7,16-Docosanediamine Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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