Cas no 1069-15-4 (3-Buten-2-one, 4-(dimethylamino)-1,1-diethoxy-)
1069-15-4 structure
Product Name:3-Buten-2-one, 4-(dimethylamino)-1,1-diethoxy-
CAS No:1069-15-4
MF:C10H19NO3
MW:201.262763261795
CID:1185212
PubChem ID:71355623
Update Time:2025-04-20
3-Buten-2-one, 4-(dimethylamino)-1,1-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 4-(dimethylamino)-1,1-diethoxy-
- 4-(dimethylamino)-1,1-diethoxybut-3-en-2-one
- 1069-15-4
- DTXSID00779986
-
- Inchi： 1S/C10H19NO3/c1-5-13-10(14-6-2)9(12)7-8-11(3)4/h7-8,10H,5-6H2,1-4H3
- InChI Key： BNIXSMHFDJNNHW-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C=CN(C)C)=O)OCC
Computed Properties
- Exact Mass: 201.13657
- Monoisotopic Mass: 201.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.9
- Topological Polar Surface Area: 38.8?2
Experimental Properties
- PSA: 38.77
- LogP: 1.02990
3-Buten-2-one, 4-(dimethylamino)-1,1-diethoxy- 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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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