Cas no 94087-76-0 (2,4,6-Pyrimidinetriamine,5-dodecyl-)
94087-76-0 structure
Product Name:2,4,6-Pyrimidinetriamine,5-dodecyl-
CAS No:94087-76-0
MF:C16H31N5
MW:293.450843095779
CID:814847
PubChem ID:3023448
Update Time:2025-04-19
2,4,6-Pyrimidinetriamine,5-dodecyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Pyrimidinetriamine,5-dodecyl-
- 5-dodecylpyrimidine-2,4,6-triamine
- DTXSID20240446
- NS00039992
- EINECS 301-970-0
- 94087-76-0
-
- Inchi： 1S/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)20-16(19)21-15(13)18/h2-12H2,1H3,(H6,17,18,19,20,21)
- InChI Key： PEPWLMWLJXTXFM-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=C(C=1N)CCCCCCCCCCCC)N
Computed Properties
- Exact Mass: 293.25794601g/mol
- Monoisotopic Mass: 293.25794601g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 237
- 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: 5.4
- Topological Polar Surface Area: 104?2
2,4,6-Pyrimidinetriamine,5-dodecyl- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
94087-76-0 (2,4,6-Pyrimidinetriamine,5-dodecyl-) Related Products
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