Cas no 21477-63-4 (3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI))
21477-63-4 structure
Product Name:3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI)
CAS No:21477-63-4
MF:C6H11NO
MW:113.157641649246
CID:249786
PubChem ID:45085038
Update Time:2025-04-19
3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
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- 3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI)
- (Z)-4-Ethylamino-but-3-en-2-one
- 3-Buten-2-one, 4-(ethylamino)-, (Z)-
- AKOS006375025
- 21477-63-4
- DTXSID901289614
-
- Inchi: 1S/C6H11NO/c1-3-7-5-4-6(2)8/h4-5,7H,3H2,1-2H3/b5-4-
- InChI Key: SHEHJLABVDANKX-PLNGDYQASA-N
- SMILES: O=C(C)/C=C\NCC
Computed Properties
- Exact Mass: 113.08413
- Monoisotopic Mass: 113.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 96.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.1A^2
- XLogP3: 1.1
Experimental Properties
- PSA: 29.1
3-Buten-2-one,4-(ethylamino)-, (Z)- (8CI,9CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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3. 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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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