Cas no 56942-57-5 (Tacamine)
Tacamine structure
Product Name:Tacamine
CAS No:56942-57-5
MF:C21H26N2O3
MW:354.442745685577
CID:2068202
Update Time:2025-03-25
Tacamine Chemical and Physical Properties
Names and Identifiers
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- Tacamine
- 20,21-Dinoreburnamenine-14-carboxylic acid, 18-ethyl-14,15-dihydro-14-hydroxy-, methyl ester, (14α,18α)- (9CI)
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- Inchi： 1S/C21H26N2O3/c1-3-13-10-14-11-21(25,20(24)26-2)23-17-7-5-4-6-15(17)16-8-9-22(12-13)18(14)19(16)23/h4-7,13-14,18,25H,3,8-12H2,1-2H3
- InChI Key： JUVLOHBIAARAPO-UHFFFAOYSA-N
- SMILES： CCC1CN2CCC3=C4C2C(CC(N4C2C3=CC=CC=2)(C(OC)=O)O)C1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- XLogP3: 2.065
Experimental Properties
- Density: 1.39±0.1 g/cm3(Predicted)
- Boiling Point: 515.3±50.0 °C(Predicted)
- pka: 12.12±0.40(Predicted)
Tacamine Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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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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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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