Cas no 88974-13-4 (2,4-Hexadienamide, N,N-bis(2-hydroxyethyl)-, (E,E)-)
88974-13-4 structure
Product Name:2,4-Hexadienamide, N,N-bis(2-hydroxyethyl)-, (E,E)-
CAS No:88974-13-4
MF:C10H17NO3
MW:199.246883153915
CID:617507
PubChem ID:61235263
Update Time:2025-04-19
2,4-Hexadienamide, N,N-bis(2-hydroxyethyl)-, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienamide, N,N-bis(2-hydroxyethyl)-, (E,E)-
- N,N-bis(2-hydroxyethyl)hexa-2,4-dienamide
- DTXSID90734145
- 88974-13-4
- AKOS010485060
-
- Inchi： 1S/C10H17NO3/c1-2-3-4-5-10(14)11(6-8-12)7-9-13/h2-5,12-13H,6-9H2,1H3
- InChI Key： FSZVNYBTTBJFLV-UHFFFAOYSA-N
- SMILES： OCCN(C(C=CC=CC)=O)CCO
Computed Properties
- Exact Mass: 199.12084340g/mol
- Monoisotopic Mass: 199.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 205
- 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: -0.2
- Topological Polar Surface Area: 60.8?2
2,4-Hexadienamide, N,N-bis(2-hydroxyethyl)-, (E,E)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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