Cas no 94087-80-6 (2,4,6-Pyrimidinetriamine,5-hexadecyl-)
94087-80-6 structure
Product Name:2,4,6-Pyrimidinetriamine,5-hexadecyl-
CAS No:94087-80-6
MF:C20H39N5
MW:349.557164430618
CID:809059
PubChem ID:3023450
Update Time:2025-04-19
2,4,6-Pyrimidinetriamine,5-hexadecyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Pyrimidinetriamine,5-hexadecyl-
- 5-hexadecylpyrimidine-2,4,6-triamine
- DTXSID10240450
- 94087-80-6
- 5-Hexadecyl-2,4,6-pyrimidinetriamine
- NS00039995
- EINECS 301-974-2
- hexadecyl-2,4,6-triaminopyrimidine
- 39P632YE6U
- UNII-39P632YE6U
-
- Inchi： 1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)24-20(23)25-19(17)22/h2-16H2,1H3,(H6,21,22,23,24,25)
- InChI Key： GQBIKMHPZBVLEE-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=C(C=1N)CCCCCCCCCCCCCCCC)N
Computed Properties
- Exact Mass: 349.32054627g/mol
- Monoisotopic Mass: 349.32054627g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 288
- 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: 7.5
- Topological Polar Surface Area: 104?2
2,4,6-Pyrimidinetriamine,5-hexadecyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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