Cas no 121712-54-7 (2,4-Hexadienamide, N-methoxy-N-methyl-, (2E,4E)-)
121712-54-7 structure
Product Name:2,4-Hexadienamide, N-methoxy-N-methyl-, (2E,4E)-
CAS No:121712-54-7
MF:C8H13NO2
MW:155.194322347641
CID:1212928
PubChem ID:71339934
Update Time:2025-04-20
2,4-Hexadienamide, N-methoxy-N-methyl-, (2E,4E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadienamide, N-methoxy-N-methyl-, (2E,4E)-
- N-methoxy-N-methylhexa-2,4-dienamide
- 121712-54-7
- DTXSID30767250
-
- Inchi： 1S/C8H13NO2/c1-4-5-6-7-8(10)9(2)11-3/h4-7H,1-3H3
- InChI Key： GBAODMWSGUNKPW-UHFFFAOYSA-N
- SMILES： O(C)N(C)C(C=CC=CC)=O
Computed Properties
- Exact Mass: 155.09469
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 173
- 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: 1.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
2,4-Hexadienamide, N-methoxy-N-methyl-, (2E,4E)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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5. 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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