Cas no 89029-81-2 (1-Hexen-3-one, 1-(dimethylamino)-2-methyl-, (E)-)
89029-81-2 structure
Product Name:1-Hexen-3-one, 1-(dimethylamino)-2-methyl-, (E)-
CAS No:89029-81-2
MF:C9H17NO
MW:155.237382650375
CID:615224
PubChem ID:71321617
Update Time:2025-04-19
1-Hexen-3-one, 1-(dimethylamino)-2-methyl-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexen-3-one, 1-(dimethylamino)-2-methyl-, (E)-
- 1-(dimethylamino)-2-methylhex-1-en-3-one
- DTXSID10751410
- 89029-81-2
-
- Inchi： 1S/C9H17NO/c1-5-6-9(11)8(2)7-10(3)4/h7H,5-6H2,1-4H3
- InChI Key： OCHQPJHWDWLSAE-UHFFFAOYSA-N
- SMILES： O=C(C(C)=CN(C)C)CCC
Computed Properties
- Exact Mass: 155.131014166g/mol
- Monoisotopic Mass: 155.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 159
- 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: 1.5
- Topological Polar Surface Area: 20.3?2
1-Hexen-3-one, 1-(dimethylamino)-2-methyl-, (E)- Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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