Cas no 5467-34-5 ((4aS,8aS)-1,4-dibutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline)
5467-34-5 structure
Product Name:(4aS,8aS)-1,4-dibutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
CAS No:5467-34-5
MF:C16H32N2
MW:252.438684463501
CID:942488
PubChem ID:231572
Update Time:2025-04-19
(4aS,8aS)-1,4-dibutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline Chemical and Physical Properties
Names and Identifiers
-
- (4aS,8aS)-1,4-dibutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
- NSC28007
- 5467-34-5
- 1,4-dibutyldecahydroquinoxaline
- NSC-28007
- DTXSID40969960
-
- Inchi： 1S/C16H32N2/c1-3-5-11-17-13-14-18(12-6-4-2)16-10-8-7-9-15(16)17/h15-16H,3-14H2,1-2H3/t15-,16-/m0/s1
- InChI Key： UYPHWUXYKSXDIF-HOTGVXAUSA-N
- SMILES： N1(CCCC)CCN(CCCC)[C@H]2CCCC[C@H]12
Computed Properties
- Exact Mass: 252.25700
- Monoisotopic Mass: 252.257
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 205
- 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: 3.9
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 1.2
- Refractive Index: 1.565
- PSA: 6.48000
- LogP: 3.39120
(4aS,8aS)-1,4-dibutyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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