Cas no 62409-12-5 (2,4,6-Heptatrienamide)
2,4,6-Heptatrienamide structure
Product Name:2,4,6-Heptatrienamide
CAS No:62409-12-5
MF:C7H9NO
MW:123.152461767197
CID:445737
PubChem ID:54261312
Update Time:2025-04-19
2,4,6-Heptatrienamide Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Heptatrienamide
- hepta-2,4,6-trienamide
- 62409-12-5
- DTXSID50710122
-
- Inchi: 1S/C7H9NO/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H2,8,9)
- InChI Key: RDRXKIQDFFGAQA-UHFFFAOYSA-N
- SMILES: O=C(C=CC=CC=C)N
Computed Properties
- Exact Mass: 123.06847
- Monoisotopic Mass: 123.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 1
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
2,4,6-Heptatrienamide Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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