Cas no 22766-29-6 (2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester)
22766-29-6 structure
Product Name:2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester
CAS No:22766-29-6
MF:C12H19NO3
MW:225.284163713455
CID:286129
PubChem ID:231312
Update Time:2025-04-19
2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester
- ethyl 4-oxo-1,2,3,6,7,8,9,9a-octahydroquinolizine-3-carboxylate
- 3-Ethoxycarbonyl-chinolizidin-4-on
- 4-Oxo-3-chinolizidin-carbonsaeure-ethylester
- 4-Oxo-octahydro-chinolizin-3-carbonsaeure-aethylester
- 4-oxo-octahydro-quinolizin-3-carboxylic acid ethyl ester
- AC1L5LF4
- AC1Q6FXN
- AG-J-30850
- AR-1I9314
- CTK4F0128
- ethyl 4-oxooctahydro-2h-quinolizine-3-carboxylate
- Ethyl-4-oxo-octahydrochinolizin-3-carboxylat
- NSC27291
- DTXSID80282680
- NSC-27291
- 22766-29-6
-
- Inchi: 1S/C12H19NO3/c1-2-16-12(15)10-7-6-9-5-3-4-8-13(9)11(10)14/h9-10H,2-8H2,1H3
- InChI Key: LVUMZRALTVHCSE-UHFFFAOYSA-N
- SMILES: O=C1C(C(=O)OCC)CCC2CCCCN21
Computed Properties
- Exact Mass: 225.13657
- Monoisotopic Mass: 225.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 46.6?2
Experimental Properties
- Density: 1.14
- Boiling Point: 350°C at 760 mmHg
- Flash Point: 165.5°C
- Refractive Index: 1.512
- PSA: 46.61
- LogP: 1.27850
2H-Quinolizine-3-carboxylicacid, octahydro-4-oxo-, ethyl ester Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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