Cas no 6335-64-4 ((4as,8as)-1,4-dipropyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline)
6335-64-4 structure
Product Name:(4as,8as)-1,4-dipropyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CAS No:6335-64-4
MF:C14H28N2
MW:224.385523796082
CID:959897
PubChem ID:231573
Update Time:2025-04-19
(4as,8as)-1,4-dipropyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline Chemical and Physical Properties
Names and Identifiers
-
- (4as,8as)-1,4-dipropyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
- 6335-64-4
- NSC28008
- NSC-28008
-
- Inchi： 1S/C14H28N2/c1-3-9-15-11-12-16(10-4-2)14-8-6-5-7-13(14)15/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
- InChI Key： QLWLQPCFOSNUKV-KBPBESRZSA-N
- SMILES： N1(CCC)CCN(CCC)[C@H]2CCCC[C@H]12
Computed Properties
- Exact Mass: 224.22544
- Monoisotopic Mass: 224.225248902g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
- LogP: 2.61100
(4as,8as)-1,4-dipropyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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