Cas no 118089-84-2 (Cinchonanium,9-hydroxy-1-(phenylmethyl)-, bromide, (8a,9R)-)
118089-84-2 structure
Product Name:Cinchonanium,9-hydroxy-1-(phenylmethyl)-, bromide, (8a,9R)-
CAS No:118089-84-2
MF:C26H29BrN2O
MW:465.425266027451
CID:131748
PubChem ID:13095490
Update Time:2025-04-19
Cinchonanium,9-hydroxy-1-(phenylmethyl)-, bromide, (8a,9R)- Chemical and Physical Properties
Names and Identifiers
-
- Cinchonanium,9-hydroxy-1-(phenylmethyl)-, bromide, (8a,9R)-
- N-BENZYLCINCHONIDINIUM BROMIDE
- N-Benzylcinchonidinium bromide 97%
- SCHEMBL3470421
- (2S,4S,5R)-1-Benzyl-2-((R)-hydroxy(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide
- 118089-84-2
-
- Inchi： 1S/C26H29N2O.BrH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21-,25-,26+,28?;/m0./s1
- InChI Key： UUVFTQCFSNVLGV-IOPLZPHGSA-M
- SMILES： [Br-].O[C@H](C1C=CN=C2C=CC=CC=12)[C@@H]1C[C@@H]2CC[N+]1(CC1C=CC=CC=1)C[C@@H]2C=C
Computed Properties
- Exact Mass: 470.9194
- Monoisotopic Mass: 464.14633g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 573
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- Color/Form: solid
- Melting Point: 190?°C (dec.)(lit.)
- PSA: 22.12
- Solubility: Not determined
Cinchonanium,9-hydroxy-1-(phenylmethyl)-, bromide, (8a,9R)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-228667-5 g |
N-Benzylcinchonidinium bromide, |
118089-84-2 | 5g |
￥474.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-228667-5g |
N-Benzylcinchonidinium bromide, |
118089-84-2 | 5g |
￥474.00 | 2023-09-05 |
Cinchonanium,9-hydroxy-1-(phenylmethyl)-, bromide, (8a,9R)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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