Cas no 5467-33-4 (Quinoxalinium,decahydro-1,1,4,4-tetrakis(phenylmethyl)-, dichloride, trans- (9CI))
5467-33-4 structure
Product Name:Quinoxalinium,decahydro-1,1,4,4-tetrakis(phenylmethyl)-, dichloride, trans- (9CI)
CAS No:5467-33-4
MF:C36H43ClN2
MW:539.193028688431
CID:379124
PubChem ID:54611932
Update Time:2025-04-19
Quinoxalinium,decahydro-1,1,4,4-tetrakis(phenylmethyl)-, dichloride, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Quinoxalinium,decahydro-1,1,4,4-tetrakis(phenylmethyl)-, dichloride, trans- (9CI)
- (4aS,8aS)-1,1,4,4-tetrabenzyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1,4-diium,hydrochloride
- NSC28004
- NSC-28004
- DTXSID10715436
- (4aS,8aS)-1,1,4,4-tetrabenzyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline-1,4-diium;hydrochloride
- 5467-33-4
-
- Inchi： 1S/C36H42N2.ClH/c1-5-15-31(16-6-1)27-37(28-32-17-7-2-8-18-32)25-26-38(29-33-19-9-3-10-20-33,30-34-21-11-4-12-22-34)36-24-14-13-23-35(36)37;/h1-12,15-22,35-36H,13-14,23-30H2;1H/q+2;/t35-,36-;/m0./s1
- InChI Key： OWCWFMXUXDXXHS-AIHXPYQNSA-N
- SMILES： Cl.[N+]1(CC2C=CC=CC=2)(CC2C=CC=CC=2)CC[N+](CC2C=CC=CC=2)(CC2C=CC=CC=2)[C@H]2CCCC[C@H]12
Computed Properties
- Exact Mass: 502.33506
- Monoisotopic Mass: 538.3114771g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 39
- Rotatable Bond Count: 8
- Complexity: 592
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
- LogP: 8.46520
Quinoxalinium,decahydro-1,1,4,4-tetrakis(phenylmethyl)-, dichloride, trans- (9CI) Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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