Cas no 824969-21-3 (1,3-Butanedione, 1-[3-(dimethylamino)phenyl]-)
![1,3-Butanedione, 1-[3-(dimethylamino)phenyl]- structure](https://ossimg.kuujia.com/scimg/825000/824969-21-3x500.png)
824969-21-3 structure
Product Name:1,3-Butanedione, 1-[3-(dimethylamino)phenyl]-
CAS No:824969-21-3
MF:C12H15NO2
MW:205.253003358841
CID:689610
PubChem ID:69549767
Update Time:2025-04-19
1,3-Butanedione, 1-[3-(dimethylamino)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione, 1-[3-(dimethylamino)phenyl]-
- 1-[3-(dimethylamino)phenyl]butane-1,3-dione
- SCHEMBL5740022
- DTXSID80740775
- 824969-21-3
-
- Inchi： 1S/C12H15NO2/c1-9(14)7-12(15)10-5-4-6-11(8-10)13(2)3/h4-6,8H,7H2,1-3H3
- InChI Key： QCUPRYSCZGLCSE-UHFFFAOYSA-N
- SMILES： O=C(CC(C)=O)C1=CC=CC(=C1)N(C)C
Computed Properties
- Exact Mass: 205.110278721g/mol
- Monoisotopic Mass: 205.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 37.4?2
1,3-Butanedione, 1-[3-(dimethylamino)phenyl]- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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